0000000001299240

AUTHOR

Clara Viñas

showing 100 related works from this author

Borane reaction chemistry. Alkyne insertion reactions into boron-containing clusters. Products from the thermolysis of [6,9-(2-HC[triple bond]C-C5H4N…

2008

The stirring of [ortho-(HC[triple bond]C)-C(5)H(4)N] with [nido-B(10)H(14)] in benzene affords [6,9-{ortho-(HC[triple bond]C)-C(5)H(4)N}(2)-arachno-B(10)H(12)] 1 in 93% yield. In the solid state, 1 has an extended complex three-dimensional structure involving intramolecular dihydrogen bonding, which accounts for its low solubility. Thermolysis of 1 gives the known [1-(ortho-C(5)H(4)N)-1,2-closo-C(2)B(10)H(11)] 2 (13%), together with new [micro-5(N),6(C)-(NC(5)H(4)-ortho-CH(2))-nido-6-CB(9)H(10)] 3 (0.4%), [micro-7(C),8(N)-(NC(5)H(4)-ortho-CH(2))-nido-7-CB(10)H(11)] (0.4%) , 4 binuclear [endo-6'-(closo-1,2-C(2)B(10)H(10))-micro-(1(C),exo-6'(N))-(ortho-C(5)H(4)N)-micro-(exo-8'(C),exo-9'(N))-(…

chemistry.chemical_classification010405 organic chemistryStereochemistryAlkyneNuclear magnetic resonance spectroscopyBorane010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesInorganic ChemistryHydroborationchemistry.chemical_compoundchemistryIntramolecular forceYield (chemistry)Cluster (physics)MoietyDalton transactions (Cambridge, England : 2003)
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Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.

2006

Reaction of the lithium salt Li[1-R-1,2-closo-C(2)B(10)H(10)] with selenium under mild conditions, followed by hydrolysis gave the diselenide compound (1-Se-2-R-1,2-closo-C(2)B(10)H(10))(2) in contrast to the well-reported mercapto compounds 1-SH-2-R-1,2-closo-C(2)B(10)H(10) obtained using a similar synthetic procedure. Details for the preparation and X-ray structural characterisation of the new compounds (2-Me-1,2-closo-C(2)B(10)H(10))(2)Se, (1-Se-2-R-1,2-closo-C(2)B(10)H(10))(2) (R = Me, Ph, ) are specified. To further explore the mechanism of the dimerization reaction, the complex [Au(1-Se-2-Me-1,2-closo-C(2)B(10)H(10))(PPh(3))] was synthesized, confirming the existence of the intermedia…

010405 organic chemistryLigandInorganic chemistrychemistry.chemical_elementNuclear magnetic resonance spectroscopy010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesInorganic ChemistryDiselenidechemistry.chemical_compoundChalcogenchemistrySelenideReactivity (chemistry)Cyclic voltammetrySeleniumDalton transactions (Cambridge, England : 2003)
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“Water-stable boron-iodinated dicarbollide dianions [7,8-nido-C2H2B9I9]2−and [7,8-nido-C2H2B9I8H]2−”

2007

The reaction of 3,4,5,7,8,9,10,11,12-I(9)-1,2-closo-C(2)B(10)H(3) with KOH/EtOH gave a mixture of the boron periodinated [1,2,3,4,5,6,9,10,11-I(9)-7,8-nido-C(2)B(9)H(2)](2-) and the highly iodinated on boron [1,2,4,5,6,9,10,11-I(8)-7,8-nido-C(2)B(9)H(3)](2-) in approximately 50% each. Moreover, 3,4,5,6,7,8,9,10,11,12-I(10)-1,2-closo-C(2)B(10)H(2) was reacted with KOH/EtOH to purely produce [1,2,3,4,5,6,9,10,11-I(9)-7,8-nido-C(2)B(9)H(2)](2-). It is the first dinegative dicarbollide stable in water or protic solvent reported in literature.

Inorganic Chemistrychemistry.chemical_compoundCrystallographychemistry010405 organic chemistrychemistry.chemical_element010402 general chemistryBoron01 natural sciencesMedicinal chemistry0104 chemical sciencesProtic solventDalton Trans.
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Restricted rotation in unbridged sandwich complexes: rotational behavior of closo-[Co(eta 5-NC4H4)(C2B9H11)] derivatives.

2005

Rotation about the centroid/ metal/centroid axis in ferrocene is facile; the activation energy is 1-5 kcal mol - 1 . The structurally similar sandwich complexes derived from closo-[3-Co(η 5 -NC 4 H 4 )-1,2-C 2 B 9 H 1 1 ] (1) have a different rotational habit. In 1, the cis rotamer in which the pyrrolyl nitrogen atom bisects the carboranyl cluster atoms is 3.5 kcal mol - 1 more stable in energy than the rotamer that is second lowest in energy. This cis rotamer is wide, spanning 216°, and may be split into three rotamers of almost equal energy by substituting the N and the carboranyl carbon atoms adequately. To support this statement, closo-[3-Co(η 5 -NC 4 H 4 )-1,2-(CH 3 ) 2 -1,2-C 2 B 9 H …

chemistry.chemical_classificationSteric effects010405 organic chemistryStereochemistryOrganic ChemistryHeteroatomGeneral Chemistry010402 general chemistry7. Clean energy01 natural sciencesCatalysis0104 chemical sciencesRotational energyIonElectronegativitychemistry.chemical_compoundCrystallographychemistryFerroceneCounterionConformational isomerismChemistry (Weinheim an der Bergstrasse, Germany)
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Chelation of a proton by oxidized diphosphines

2012

Abstract The chelation of a proton by oxidized diphosphines is studied for the first time both experimentally and theoretically. As a proof of concept the rare case where two different H-bond systems exist in one compound, H[7,8-(OP i Pr 2 ) 2 -7,8- nido -C 2 B 9 H 10 ] is reported. Based on NBO, QTAIM and ELF calculations, the P–O⋯H + ⋯O–P interactions were characterized as strong hydrogen bonds.

ProtonHydrogen bondChemistryOrganic ChemistryPhotochemistryBiochemistryMedicinal chemistryInorganic ChemistryDiphosphinesRare caseMaterials ChemistryChelationPhysical and Theoretical Chemistryta116Natural bond orbitalJOURNAL OF ORGANOMETALLLIC CHEMISTRY
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Controlled Direct Synthesis of C-Mono- and C-Disubstituted Derivatives of [3,3′-Co(1,2-C2B9H11)2]− with Organosilane Groups: Theoretical Calculations…

2008

Mono- and dilithium salts of [3,3'-Co(1,2-C(2)B(9)H(11))(2)](-), (1(-)), react with different chlorosilanes (Me(2)SiHCl, Me(2)SiCl(2), Me(3)SiCl and MeSiHCl(2)) with an accurate control of the temperature to give a set of novel C(c)-mono- (C(c) = C(cluster)) and C(c)-disubstituted cobaltabis(dicarbollide) derivatives with silyl functions: [1-SiMe(2)H-3,3'-Co(1,2-C(2)B(9)H(10))(1',2'-C(2)B(9)H(11))](-) (3(-)); [1,1'-mu-SiMe(2)-3,3'-Co(1,2-C(2)B(9)H(10))(2)](-) (4(-)); [1,1'-mu-SiMeH-3,3'-Co(1,2-C(2)B(9)H(10))(2)](-) (5(-)); [1-SiMe(3)-3,3'-Co(1,2-C(2)B(9)H(10))(1',2'-C(2)B(9)H(11))](-) (6(-)) and [1,1'-(SiMe(3))(2)-3,3'-Co(1,2-C(2)B(9)H(10))(2)](-) (7(-)). In a similar way, the [8,8'-mu-(1''…

SilylationIntramolecular reaction010405 organic chemistryMeso compoundStereochemistryOrganic ChemistryGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryCatalysis0104 chemical sciencesDilithiumchemistry.chemical_compoundchemistryDensity functional theoryStoichiometryChlorosilaneChemistry - A European Journal
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Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.

2005

The equimolar reaction of 1-SH-2-R-1,2-closo-C2B10H10 (R = Me, H, Ph) with KOH in ethanol produces the thiolate species [1-S-2-R-1,2-closo-C2B10H10]−. These react with iodine to give the disulfide bridged dicluster (1-S-2-R-1,2-closo-C2B10H10)2 (R = H, Me, Ph) compounds as analytically pure, white and air-stable solids in high yield. Synthesis of monothioether bridged species is synthetically more difficult. In fact three procedures have been tested to obtain the thioether bridged dicluster compounds (2-R-1,2-closo-C2B10H10)2S (R = Me, H, Ph) but only (2-Me-1,2-closo-C2B10H10)2S was successfully synthesized and characterized. Attempts to produce mixed compounds (1-R-1,2-closo-C2B10H10)S(1-R…

010405 organic chemistryChemistryInorganic chemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistrySulfur0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundThioetherYield (chemistry)Cluster (physics)Reactivity (chemistry)CarbonHOMO/LUMODalton transactions (Cambridge, England : 2003)
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Interplay of hydrogen bonding and π–π interactions in the molecular complex of 2,6-lutidine N-oxide and water

2006

Abstract The crystal and molecular structure of 2,6-lutidine N-oxide monohydrate (1) has been determined by X-ray diffraction analysis. Each water molecule is acting as bridging ligand between the N→O moieties of two 2,6-lutidine N-oxide molecules through moderate strong intermolecular hydrogen bonding (O–H⋯O, O⋯O distances are 2.787(2) and 2.832 (2) A) giving rise to a one-dimensional (1D) polymeric helical chain. A two-dimensional (2D) layered network is then formed by self-assembly of 1D helical chains via strong π–π interactions of the aromatic rings (interplanar distances 3.385 A). The molecular structure of 1 is compared with that for the already reported molecular structures of 2-ace…

010405 organic chemistryChemistryHydrogen bondOrganic ChemistryIntermolecular forceAromaticityBridging ligand010402 general chemistry01 natural sciences0104 chemical sciencesAnalytical ChemistryInorganic ChemistryCrystalCrystallographychemistry.chemical_compoundPyridineMolecule26-LutidineSpectroscopyJournal of Molecular Structure
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[Et4N][7-Me2S-nido-B11H12]

2003

Tetraethylammonium 7-dimethylsulfanyl-nido-dodecahydroundecaborate, [Et(4)N][7-Me(2)S-nido-B(11)H(12)] or C(8)H(20)N(+).C(2)H(18)B(11)S(-), is a product of the deprotonation of [7-Me(2)S-nido-B(11)H(13)] with KHBEt(3) and precipitation with tetraethylammonium chloride. The effect of removing one endo-terminal H atom is to cause a general contraction of the open-face B-B distances.

biology010405 organic chemistryPrecipitation (chemistry)ChemistryInorganic chemistryGeneral MedicineCrystal structure010402 general chemistry01 natural sciencesChlorideMedicinal chemistryGeneral Biochemistry Genetics and Molecular Biology0104 chemical sciencesDeprotonationmedicinebiology.proteinMoleculemedicine.drugOrganic anionActa Crystallographica Section C Crystal Structure Communications
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1,2-Bis(methylsulfanyl)-1,2-dicarba-closo-dodecaborane(12)

2004

3 pages, 1 figure, 2 tables

Crystal-structures010405 organic chemistryStereochemistryHETEROBORANESBoranesGeneral MedicineCrystal structureBoraneDihedral angle010402 general chemistry01 natural sciencesGeneral Biochemistry Genetics and Molecular Biology3. Good health0104 chemical scienceschemistry.chemical_compoundCAGESchemistryCarboraneMoleculeCageMOLECULAR-STRUCTURECarborane
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Intramolecular Communication in Anionic Oxidized Phosphanes through a Chelated Proton

2015

Oxidation of the 1,2-(PR2 )2 -1,2-closo-C2 B10 H10 (R=Ph, iPr) platform with hydrogen peroxide in acetone is a two-step procedure in which partial deboronation of the closo cluster and oxidation of the phosphorus atoms occur. Based on NMR spectroscopic and kinetic data, we demonstrate that the phosphorus atoms are oxidized in the first step, followed by cluster deboronation. DFT calculations and natural-bond orbital (NBO) analysis were used to obtain insight into the electronic structures of diphosphane ortho-carborane derivatives.

ProtonHydrogen bondOrganic ChemistryPhosphorusGeneral ChemistryPhotochemistryCarboranylphosphanesCatalysisHydrogen bondschemistry.chemical_compoundchemistryIntramolecular forcePolymer chemistryOxidationAcetoneCluster (physics)DiphosphaneHydrogen peroxideCarboranesta116Natural bond orbitalChemistry: A European Journal
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Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical-chemical properties and biological evaluation to …

2022

This work was supported by the Spanish Ministerio de Economia y Competitividad (PID2019-106832RB-100, and SAF2017-82261-P grant cofounded by the European Regional Development Fund) and the Generalitat de Catalunya (2017SGR1720). J. A. M. Xavier acknowledges DOC-FAM program under the Marie Sklodowska-Curie grant agreement N degrees 754397. A. B. Buades, M. Nuez and J. A. M. Xavier are enrolled in the PhD program of the UAB.

Bacterial diseasesMicroorganismes -- Resistència als medicamentsMicrobial Sensitivity TestsorganometalliyhdisteetGram-Positive BacteriaInorganic ChemistryAnti-Infective AgentsMedicaments antiinfecciososDrug resistance in microorganismsGram-Negative BacteriaAnimalsHumansCobaltabisdicarbollide anionMammalsantimikrobiset yhdisteetkemiallinen synteesiMalalties bacterianesBacteriaDrug discoverybioaktiiviset yhdisteetWaterBacterial InfectionsAnti-Bacterial AgentsCrystal structuresAnti-infective agentsSurfactant behaviourIodine
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Synthesis and coordinating ability of an anionic cobaltabisdicarbollide ligand geometrically analogous to BINAP.

2004

The anionic chelating ligand [1,1'-(PPh 2 ) 2 -3,3'-Co(1,2-C 2 B 9 H 1 0 ) 2 ] - has been synthesized from [3,3'-Co(1,2-C 2 B 4 H 1 1 ) 2 ] - in very good yield in a one-pot process with an easy work-up procedure. The coordinating ability of this ligand has been studied with Group 11 metal ions (Ag, Au) and with transition-metal ions (Pd, Rh). The two dicarbollide halves of the [1,1'-(PPh 2 ) 2 -3,3'-Co(1,2-C 2 B 9 H 1 0 ) 2 ] - ligand can swing about one axis in a manner analogous to the constituent parts of BINAP and ferrocenyl phosphine derivatives. All these ligands function as hinges, with the most important property in relation to the coordination requirements of the metal being the P…

Boron CompoundsModels MolecularMagnetic Resonance SpectroscopySilverStereochemistryMetal ions in aqueous solutionMolecular ConformationHomogeneous catalysisBoranesNaphthalenes010402 general chemistryCrystallography X-Ray01 natural sciencesCatalysischemistry.chemical_compoundOrganometallic CompoundsChelationRhodiumBINAPChelating AgentsAtropisomerMolecular Structure010405 organic chemistryChemistryLigandOrganic ChemistryGeneral ChemistryCations Monovalent0104 chemical sciencesCrystallographySpectrometry Mass Matrix-Assisted Laser Desorption-IonizationGoldPhosphinePalladiumChemistry (Weinheim an der Bergstrasse, Germany)
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Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bi…

2008

The synthesis of N,S-heterodisubstituted 1-(2'-pyridyl)-2-SR-1,2-closo-C2B10H10 compounds (R = Et, 2; R = (i)Pr, 3) has been accomplished starting from 1-(2'-pyridyl)-l,2-closo-C2B10H11 (1), and their partial deboronation reaction leading to the structurally chiral [7-(2'-pyridyl)-8-SR-7,8-nido-C2B9H10]-derivatives (R = Et, [4]-; R = (i)Pr, [5]-) has been studied. Capillary electrophoresis combined with the chiral selector alpha-cyclodextrin has permitted the separation of the electrophoretically pure racemic [7-(2'-pyridyl)-8-SR-7,8-nido-C2B9H11]- ions into two peaks each one corresponding to the interaction of one enantiomer with the alpha-cyclodextrin. The N,S-heterodisubstituted o-carbo…

Denticity010405 organic chemistryLigandStereochemistryCoordination number010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundchemistryPyridineCarboraneChelationReactivity (chemistry)EnantiomerDalton Trans.
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A versatile rigid binucleating ligand for Rh2(μ-Cl)2 moieties: its application as a catalyst in hydrogenation and cyclopropanation

2003

A rigid non-deforming "MCl 2 M" binucleating ligand [7,8-μ-S(4'-C 6 H 3 (CH 3 ))S-C 2 B 9 H 1 0 ] - able to held the two rhodium atoms in a cooperative distance has been synthesized. The original two bridging chlorides are retained in [Rh 2 (C 5 Me 5 ) 2 Cl 2 {7,8-μ-S(4'-C 6 H 3 (CH 3 ))S-C 2 B 9 H 1 0 }] + . Hydrogenation of 1-hexene is 10 times faster with [Rh 2 (C 5 Me 5 ) 2 Cl 2 {7,8-μ-S(4'-C 6 H 3 (CH 3 ))S-C 2 B 9 H 1 0 }] + than with [Rh 2 (C 5 Me 5 ) 2 Cl 4 ]. A hydrogenation mechanism has been proposed which assumes that [Rh 2 (C 5 Me 5 ) 2 (Cl)(H){7,8-μ-S(4'-C 6 H 3 (CH 3 ))S-C 2 B 9 H 1 0 }] + is the first generated species in the process.

010405 organic chemistryChemistryCyclopropanationStereochemistryOrganic Chemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistryRhodium compounds0104 chemical sciencesCatalysisRhodiumInorganic ChemistryMaterials ChemistryPhysical and Theoretical ChemistryJournal of Organometallic Chemistry
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Relevance of the Electronegativity of Boron inη5-Coordinating Ligands: Regioselective Monoalkylation and Monoarylation in Cobaltabisdicarbollide[3,3′…

2003

Regioselective monoalkylation and monoarylation in cobaltabisdicarbollide clusters has been achieved starting from Cs[8-I-3,3'-Co(1,2-C 2 B 9 H 1 0 )(1',2'-C 2 B 9 H 1 1 )] by cross-coupling reactions between a B-I fragment andan appropriate Grignard reagent in the presence of a Pd catalyst and CuT. A considerable number of monoalkylated and monoarylated derivatives have been synthesized, which allowed study of the influence of boron in metallocene-type ligands and the effect of alkyl and aryl substituents on boron in boron anionic clusters. Experimental data from UV/ Vis spectroscopy, E 1 / 2 measurements, and X-ray diffraction analysis, and supported by EHMO and ab initio analyses, indica…

chemistry.chemical_classification010405 organic chemistryArylOrganic ChemistryInorganic chemistryAb initioRegioselectivitychemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryCatalysis0104 chemical sciencesCatalysisElectronegativitychemistry.chemical_compoundchemistryBoronMetalloceneAlkylChemistry - A European Journal
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Aqueous self-assembly and cation selectivity of cobaltabisdicarbollide dianionic dumbbells.

2014

The anion [3,3'-Co(C2B9H11)2](-) ([COSAN](-)) produces aggregates in water. These aggregates are interpreted to be the result of C-H⋅⋅⋅H-B interactions. It is possible to generate aggregates even after the incorporation of additional functional groups into the [COSAN](-) units. The approach is to join two [COSAN](-) anions by a linker that can adapt itself to act as a crown ether. The linker has been chosen to have six oxygen atoms, which is the ideal number for K(+) selectivity in crown ethers. The linker binds the alkaline metal ions with different affinities; thus showing a distinct degree of selectivity. The highest affinity is shown towards K(+) from a mixture containing Li(+), Na(+), …

chemistry.chemical_classificationAqueous solutionChemistryStereochemistryOrganic ChemistryEtherIsothermal titration calorimetryGeneral ChemistryCatalysischemistry.chemical_compoundCrystallographyMoleculeSelf-assemblySelectivityLinkerta116Crown etherChemistry (Weinheim an der Bergstrasse, Germany)
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Neutral nido-heteroboranes with non ionisable hydrogen as arenes in coordination

2003

Designed ligands have been synthesised to produce the first arene-like metallacarborane. For arene-like coordination the number of electronegative elements on the coordinating site must be kept to a minimum. Choosing ligands with bulky substituents on the heteroatom allows easy rearrangement and arene-like coordination. This is more hampered the higher the number of hetereoatoms to be re-located.

Hydrogen010405 organic chemistryHeteroatomMetals and Alloyschemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesCombinatorial chemistryCatalysis3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialschemistryMaterials ChemistryCeramics and CompositesOrganic chemistryChem. Commun.
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Amino‐Substituted Ferra‐bis(tricarbollides) − Metallatricarbaboranes Designed for Linear Molecular Constructions

2004

Reactions between high purity FeCl2 and the anion [nido-7-(tBuHN)-7,8,9-C3B8H10)]− (1−) have been used for efficient syntheses of the twelve-vertex double-cluster metallatricarbollide complexes of the para,para (p,p) type [closo-9,9′(RHN)2-commo-2,2′-FeII-1,7,9-(C3B8H10)-1′,7′,9′-(C3B8H10)] (2) (2a, R = tBu and 2b, R = H) (yields 42−45% for 2a). Compound 2b, which contains two reactive amino substituents conveniently attached to the tricarbollide subclusters in p-positions with respect to the metal center, was prepared via facile cleavage of the tBu substituent in 2a either by AlCl3 or by thermal means. The structure of 2b constitutes a good setting for the synthesis of building blocks for …

010405 organic chemistryStereochemistryCenter (category theory)SubstituentBoranes010402 general chemistryCleavage (embryo)01 natural sciencesMedicinal chemistry0104 chemical sciencesIonInorganic ChemistryMetalchemistry.chemical_compoundchemistryvisual_artReagentvisual_art.visual_art_mediumEuropean Journal of Inorganic Chemistry
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Towards Multifunctional Materials Incorporating Elastomers and Reversible Redox-Active Fragments

2014

This paper presents a novel and unique feature of metallacarboranes, consisting of the linkage of this redox electro-active site to a stretchable polymer. This is based on polyTHF, a known and applied material. This hybrid material has the two ends functionalized: one with the aforemen- tioned redox molecule and the other with a terminal OH group, both linked by a molecular spring. Moreover, the redox electro-active molecules can be synthesized with either cobalt (cobaltabisdicarbollide) or with iron (ferrabisdi- carbollide), species whose respective E1/2 value differs by almost 1 V. The polymerization mechanism, based on an in- termediate molecular crystal structure, is explained through a…

chemistry.chemical_classificationChemistryOrganic ChemistryMolecular springGeneral ChemistryPolymerRedoxCatalysisPolymerizationElectrophilePolymer chemistryMoleculeSurface modificationHybrid materialta116Chemistry - A European Journal
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Synthesis and fluorescence emission of neutral and anionic di- and tetra-carboranyl compounds

2011

A new family of photoluminescent neutral and anionic di-carboranyl and tetra-carboranyl derivatives have been synthesized and characterized. The reaction of α,α'-bis(3,5-bis(bromomethyl)phenoxy-m-xylene with 4 equiv. of the monolithium salt of 1-Ph-1,2-C(2)B(10)H(11) or 1-Me-1,2-C(2)B(10)H(11) gives the neutral tetracarboranyl-functionalized aryl ether derivatives closo-1 and closo-2, respectively. The addition of the monolithium salt of 1-Ph-1,2-closo-C(2)B(10)H(11) to α,α,'-dibromo-m-xylene or 2,6-dibromomethyl-pyridine gives the corresponding di-carboranyl derivatives closo-3 and closo-4. These compounds, which contain four or two closo clusters, were degraded using the classical method,…

Boron CompoundsModels MolecularMagnetic Resonance SpectroscopySubstituentSalt (chemistry)Ether010402 general chemistryPhotochemistryCrystallography X-Ray01 natural sciencesInorganic Chemistrychemistry.chemical_compoundPolymer chemistryPyridineMoleculeta116Tetramethylammoniumchemistry.chemical_classificationLuminescent Agents010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryAryl[CHIM.MATE]Chemical Sciences/Material chemistry0104 chemical sciencesSpectrometry FluorescencechemistryCarborane
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Sulfur, tin and gold derivatives of 1-(2'-pyridyl)-ortho-carborane, 1-R-2-X-1,2-C2B10H10 (R = 2'-pyridyl, X = SH, SnMe3 or AuPPh3).

2004

Reaction of the lithium salt of 1-(2'-pyridyl)-ortho-carborane, Li[1-R-1,2-C(2)B(10)H(10)](R = 2'-NC(5)H(4)), with sulfur, followed by hydrolysis, gave the mercapto-o-carborane, 1-R-2-SH-1,2-C(2)B(10)H(10) which forms chiral crystals containing helical chains of molecules linked by intermolecular S-H...N hydrogen bonds. The cage C(1)-C(2) and exo C(2)-S bond lengths (1.730(3) and 1.775(2)[Angstrom], respectively) are indicative of exo S=C pi bonding. The tin derivative 1-R-2-SnMe(3)-1,2-C(2)B(10)H(10), prepared from Li[1-R-1,2-C(2)B(10)H(10)] and Me(3)SnCl, crystallises with no significant intermolecular interactions. The pyridyl group lies in the C(1)-C(2)-Sn plane, oriented to minimise th…

010405 organic chemistryChemistryHydrogen bondStereochemistryIntermolecular forcechemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciences3. Good health0104 chemical sciencesInorganic ChemistryBond lengthCrystallographyTrigonal bipyramidal molecular geometryCarboraneMoleculeTinDalton transactions (Cambridge, England : 2003)
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Sequential Nucleophilic−Electrophilic Reactions Selectively Produce Isomerically Pure Nona‐ B ‐Substituted o ‐Carborane Derivatives

2003

Nine equal substituents on the intensively studied o-carborane have been obtained for the first time by a combined nucleophilic-electrophilic reaction sequence. Iodine and methyl groups have been introduced to prove the generality of the method. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

010405 organic chemistryChemistrychemistry.chemical_element010402 general chemistryIodine01 natural sciences0104 chemical sciences3. Good healthInorganic ChemistryReaction sequenceNucleophileElectrophileCarboraneOrganic chemistryBoronEuropean Journal of Inorganic Chemistry
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The nature of the chlorination reaction in [1-C6H5-1-CB9H9]- boron clusters.

2010

Preferential chlorination sites resulting from sequential radical substitution reactions in carborane anions have been studied combining experimental and computational methods. Results have been obtained experimentally by mixing the substrate with incremental ratios of N-chlorosuccinimide and analysing the resulting samples by negative MALDI-TOF-MS. The theoretical results have been obtained calculating the 2a-NPA charges on the starting material and computing the most energetically favourable reaction pathway.

Inorganic ChemistryRadical substitutionComputational chemistryChemistryInorganic chemistryMixing (process engineering)CarboraneSubstrate (chemistry)Boron clustersDalton transactions (Cambridge, England : 2003)
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Uncommon coordination behaviour of P(S) and P(Se) units when bonded to carboranyl clusters: experimental and computational studies on the oxidation o…

2010

Oxidation of closo-carboranyl diphosphines 1,2-(PR(2))(2)-1,2-closo-C(2)B(10)H(10) (R=Ph, iPr) and closo-carboranyl monophosphines 1-PR(2)-2-R'-1,2-closo-C(2)B(10)H(10) (R=Ph, iPr, Cy; R'=Me, Ph) with hydrogen peroxide, sulfur and elemental black selenium evidences the unique capacity of the closo-carborane cluster to produce uncommon or unprecedented P/P(E) (E=S, Se) and P=O/P=S chelating ligands. When H(2)O(2) reacts with 1,2-(PR(2))(2)-1,2-closo-C(2)B(10)H(10) (R=Ph, iPr), they are oxidized to 1,2-(OPR(2))(2)-1,2-closo-C(2)B(10)H(10) (R=Ph, iPr). However, when S and Se are used, different reactivity is found for 1,2-(PPh(2))(2)-1,2-closo-C(2)B(10)H(10) and 1,2-(PiPr(2))(2)-1,2-closo-C(2)…

Steric effectsDenticity010405 organic chemistryChemistryStereochemistryOrganic ChemistryGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesChalcogenchemistry.chemical_compoundDiphosphinesElectronic effectCarboraneReactivity (chemistry)ta116PhosphineChemistry (Weinheim an der Bergstrasse, Germany)
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From Mono- to Poly-Substituted Frameworks: A Way of Tuning the Acidic Character of C-c-H in o-Carborane Derivatives

2009

[EN] The incorporation of iodine atoms onto the boron vertices of the o-carborane framework causes, according to spectroscopic data, a uniform increase in the acidic character of the C-c-H (C-c= cluster carbon) vertices, whereas the incorporation of methyl groups onto the boron vertices of the o-carborane framework reduces their acidity. Methyl groups when attached to boron are electron-withdrawing in boron clusters, whereas iodine atoms bonded to boron act as electron donors. This has been proven on B-methyl and B-iodinated o-carboranes with NMR spectroscopy measurements and DFT calculations of natural bond orbital (NBO) charges. which show a Cumulative buildup of positive cluster only tot…

inorganic chemicalsNatural bond orbital chargesInorganic chemistrychemistry.chemical_elementElectron010402 general chemistryIodine01 natural sciencesCatalysisQUIMICA ANALITICACluster (physics)BoronCarboranesBoron010405 organic chemistryOrganic ChemistryGeneral ChemistryNuclear magnetic resonance spectroscopy3. Good health0104 chemical sciencesCrystallographyDensity functional calculationschemistryCarboraneCarbonNatural bond orbitalIodine
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Fluorescence of Newo-Carborane Compounds with Different Fluorophores: Can it be Tuned?

2014

Two sets of o-carborane derivatives incorporating fluorene and anthracene fragments as fluorophore groups have been successfully synthesized and characterized, and their photophysical properties studied. The first set, comprising fluorene-containing carboranes 6-9, was prepared by catalyzed hydrosilylation reactions of ethynylfluorene with appropriate carboranylsilanes. The compound 1-[(9,9-dioctyl-fluorene-2-yl)ethynyl]carborane (11) was synthesized by the reaction of 9,9-dioctyl-2-ethynylfluorene and decaborane (B10H14). Furthermore, reactions of the lithium salt of 11 with 1 equivalent of 4-(chloromethyl)styrene or 9-(chloromethyl)anthracene yielded compounds 12 and 13. Members of the se…

AnthraceneHydrosilylationOrganic ChemistrySubstituentGeneral ChemistryFluorenePhotochemistryFluorescenceMedicinal chemistryCatalysisDilithiumchemistry.chemical_compoundchemistryDecaboraneCarboraneta116Chemistry - A European Journal
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A versatile methodology for the controlled synthesis of photoluminescent high-boron-content dendrimers.

2013

Fluorescent star-shaped mol- ecules and dendrimers with a 1,3,5-tri- phenylbenzene moiety as the core and 3 or 9 carborane derivatives at the pe- riphery, have been prepared in very good yields by following different ap- proaches. One procedure relies on the nucleophilic substitution of Br groups in 1,3,5-tris(4-(3-bromopropoxy)phe- nyl)benzene with the monolithium salts of methyl and phenyl-o-carborane. The second method is the hydrosilylation reactions on the peripheral allyl ether functions of 1,3,5-tris(4-allyloxy-phe- nyl)benzene and 1,3,5-tris(4-(3,4,5-tris- AAA with suitable carboranyl-silanes to produce different generations of dendrimers decorated with carboranyl fragments. This ap…

HydrosilylationOrganic ChemistrySubstituentchemistry.chemical_elementEtherGeneral ChemistryPhotochemistryCatalysischemistry.chemical_compoundchemistryDendrimerPolymer chemistryCarboraneMoietyBoronta116MacromoleculeChemistry (Weinheim an der Bergstrasse, Germany)
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Iodinatedortho-Carboranes as Versatile Building Blocks to Design Intermolecular Interactions in Crystal Lattices

2009

[EN] The crystal structures of numerous iodinated ortho-carboranes have been studied, which has revealed the diversity of intermolecular interactions that these substances can adopt in the solid state. The nature-mostly as it relates to hydrogen and/or halogen bonds-and relative strength of such interactions can be adjusted by selectively introducing substituents onto the cluster, thus enabling the rational design of crystal lattices. In this work we present the newly determined crystal structures of the following iodinated ortho-carboranes: 9-I-1,2-closo-C2B10H11, 4,5,7,8,9,10,11,12-I-8-1,2-closo-C2B10H4, 3,4,5,6,7,8,9,10,11,12-I-10,-1,2-closo-C2B10H2, 1-Me-8,9,10,12-I-4-1,2-closo-C2B10H7,…

HydrogenStereochemistrySupramolecular chemistryCrystal engineeringchemistry.chemical_elementCrystal structure010402 general chemistryCrystal engineering01 natural sciencesCatalysisHydrogen bondsHalogensQUIMICA ANALITICACluster (physics)Carboranes010405 organic chemistryChemistryHydrogen bondOrganic ChemistryIntermolecular forceGeneral Chemistry0104 chemical sciencesCrystallographyHalogenSupramolecular chemistryChemistry - A European Journal
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2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12)

2002

In the title o-carborane derivative, C(9)H(18)B(10)S, the methyl and phenylsulfanyl groups are connected to the C atoms of the carborane cage. The C(cage)-C(cage) distance is 1.708 (4) A.

StereochemistryGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistryGeneral Biochemistry Genetics and Molecular Biology3. Good health0104 chemical scienceschemistry.chemical_compoundchemistryCarboraneDerivative (chemistry)Acta Crystallographica Section C Crystal Structure Communications
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Diferratricarbaboranes of thesubcloso-[(η5-C5H5)2Fe2C3B8H11] Type, the First Representatives of the 13-Vertex Dimetallatricarbaborane Series

2003

Treatment of the [2-Cp-9-tBuNH-closo-2,1,7,9-FeC 3 B 8 H 1 0 ] (1) ferratricarbollide (Cp = η 5 -C 5 H 5 -) with Na + C 1 0 H 8 - in 1,2-dimethoxyethane (DME) at room temperature produced an air-sensitive transient anion with a tentatively identified nido-[tBUNH-CpFeC 3 B 8 H 1 0 ] 2 - constitution. In-situ reaction of this low-stability ion with [CpFe(CO) 2 I] or [CpFe(CO) 2 ] 2 generated three violet diferratricarbaboranes identified as paramagnetic subcloso complexes [4,5-Cp 2 - -4,5,1,6,7-Fe 2 C 3 B 8 H 1 1 ] (2; yield 2%), [4,5-Cp 2 - -4,5,1,7,12-Fe 2 C 3 B 8 H 1 1 ] (3; yield 2%), and [7-tBuNH-4,5-Cp 2 - -4,5,1,7,12-Fe 2 C 3 B 8 H 1 0 ] (4; yield 14%). These first representatives of t…

010405 organic chemistryChemistryStereochemistryOrganic ChemistryInfrared spectroscopyBoranesGeneral Chemistry010402 general chemistryMass spectrometry01 natural sciencesCatalysis3. Good health0104 chemical sciencesIonlaw.inventionVertex (geometry)CrystallographyParamagnetismlawYield (chemistry)Electron paramagnetic resonanceChemistry - A European Journal
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Light‐Induced On/Off Switching of the Surfactant Character of the o ‐Cobaltabis(dicarbollide) Anion with No Covalent Bond Alteration

2021

Cobaltabis(dicarbollide) anion ([o-COSAN]- ) is a well-known metallacarborane with multiple applications in a variety of fields. In aqueous solution, the cisoid rotamer is the most stable disposition in the ground state. The present work provides theoretical evidence on the possibility to photoinduce the rotation from the cisoid to the transoid rotamer, a conversion that can be reverted when the ground state is repopulated. The non-radiative decay mechanisms proposed in this work are coherent with the lack of fluorescence observed in 3D fluorescence mapping experiments performed on [o-COSAN]- and its derivatives. This phenomenon induced by light has the potential to destruct the vesicles an…

PhotodynamicsAqueous solutionChemistryGeneral MedicineGeneral ChemistryPhotochemistryFluorescenceQuantum chemistryMicelleFluorescenceCatalysisThermal decayCovalent bondCarboraneGround stateQuantum chemistryConformational isomerismCarboraneAngewandte Chemie International Edition
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A convenient synthetic route to useful monobranched polyethoxylated halogen terminated [3,3 -Co(1,2-C2B9H11)2]- synthons

2009

An atom efficient and environmentally friendly route has been developed to obtain a new range of reagents in metallacarborane chemistry having monobranched polyethoxylated cobaltabisdicarbollide synthons. peer-reviewed

Inorganic ChemistryMonobranched polyethoxylated halogenChemistryChemistryReagentHalogenHalogenSynthonOrganic chemistryEnvironmentally friendlyCombinatorial chemistry
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Stepwise sequential redox potential modulation possible on a single platform.

2011

Step by step: The cluster [3,3'-Co(1,2-C(2)B(9)H(11))(2)](-) is an excellent platform for making a stepwise tunable redox potential system by dehydroiodination. With the addition of up to eight iodine substituents (purple; see picture), there is a fall in the E(1/2)(Co(III)/Co(II)) value from -1.80 V to -0.68 V (vs. Fc(+)/Fc; Fc = ferrocene). A practical application of this tunability has been observed in the growth of polypyrrole.

Models MolecularPolymersInorganic chemistryGeneral MedicineGeneral ChemistryCobaltPolypyrroleCrystallography X-RayElectron transport chainRedoxCatalysisCrystallographychemistry.chemical_compoundFerrocenechemistryModulationOrganometallic CompoundsPyrrolesFullerenesBoranesOxidation-ReductionAngewandte Chemie (International ed. in English)
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Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]

2017

Abstract This work investigates the meta -ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7- closo -C 2 B 9 H 11 ) 2 ] − anions and disordered [N(CH 3 ) 4 ] + cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions.

structures: crystalsIonic bondingCrystal structure010402 general chemistrychemistry01 natural sciencesBiochemistryIonInorganic ChemistryCrystalchemistry.chemical_compoundsymbols.namesakeComputational chemistrymeta-carboraneMaterials ChemistryPhysical and Theoretical Chemistryta116x-ray crystallographyTetramethylammoniummetallabis(dicarbollide)010405 organic chemistryOrganic ChemistryIntermolecular forcex-ray technology0104 chemical sciencesCrystallographydihydrogen bondschemistrysymbolsChemical stabilityvan der Waals forceHirshfeld studyJournal of Organometallic Chemistry
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Influence of the solvent and R groups on the structure of (carboranyl)R2PI2 compounds in solution. Crystal structure of the first iodophosphonium sal…

2008

The influence of the electron-donor or electron-acceptor capacity of the R groups (R = (i)Pr, Ph, Et) and the solvent on the molecular geometry in solution of adducts of carboranylphosphanes [(carboranyl)(i)Pr2P, (carboranyl)Ph2P and (carboranyl)Et2P] with I2 in 1 : 1 ratios, has been studied in detail by 31P{1H} and 11B{1H} NMR spectroscopies. The more electron-accepting Ph groups make the (carboranyl)Ph2P less nucleophilic, thus stabilizing the I2 encapsulated neutral biscarboranylphosphane-diiodine adducts in solution, such as (carboranyl)Ph2PI-IPPh2(carboranyl), generating P---I-I---P motifs. Even in a polar solvent, such as EtOH, the arrangement is preserved. The expected basicity of t…

010405 organic chemistryStereochemistryChemistryIonic bondingCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesAdductInorganic ChemistrySolventchemistry.chemical_compoundMolecular geometryNucleophileZwitterionReactivity (chemistry)Dalton Transactions
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Synthesis of quadruped-shaped polyfunctionalized o-carborane synthons

2011

[EN] o-Carborane derivatives with precisely defined patterns of substitution have been prepared from 8,9,10,12-I-4-1,2-closo-C2B10H8 by replacing the iodine atoms, bonded to four adjacent boron vertices in the cluster, with allyl, and subsequently 3-hydroxypropyl groups. The resulting structures, comprising four pendant arms and two reactive vertices located on opposite sides of a central o-carborane core, can be envisaged as versatile precursors for dendritic growth

DendrimersIcosahedral CarboranesStereochemistryMolecular ConformationNeutron-Capture TherapySupramolecular Assemblieschemistry.chemical_elementBoranesCrystallography X-Ray010402 general chemistry01 natural sciencesCatalysisMolecular conformationDendrimerQUIMICA ANALITICAMaterials ChemistryCluster (physics)BoranesBoronta116CancerIodination010405 organic chemistryChemistryPolysubstituted FrameworksSynthonMetals and AlloysHalogenationGeneral Chemistry3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsC-HChemistryCrystallographyCeramics and CompositesCarboraneDerivativesIodineChemical Communications
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Synthesis and Characterization of New Fluorescent Styrene-Containing Carborane Derivatives: The Singular Quenching Role of a Phenyl Substituent

2011

A set of neutral and anionic carborane derivatives in which the styrenyl fragment is introduced as a fluorophore group has been successfully synthesized and characterized. The reaction of the monolithium salts of 1-Ph-1,2-C(2)B(10)H(11), 1-Me-1,2-C(2)B(10)H(11) and 1,2-C(2)B(10)H(12) with one equivalent of 4-vinylbenzyl chloride leads to the formation of compounds 1-3, whereas the reaction of the dilithium salt of 1,2-C(2)B(10)H(12) with two equivalents of 4-vinylbenzyl chloride gives disubstituted compound 4. The closo clusters were degraded using the classical method, KOH in EtOH, to afford the corresponding nido species, which were isolated as tetramethylammonium salts. The crystal struc…

TetramethylammoniumQuenching (fluorescence)Organic ChemistrySubstituentGeneral ChemistryCrystal structurePhotochemistryMedicinal chemistryFluorescenceCatalysisDilithiumchemistry.chemical_compoundchemistryCarboranePhenyl groupta116Chemistry : A European Journal
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Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π–π and C–H⋯π interactions?

2006

The syntheses of new hexa- and 1,2,4,5-tetra-1-pyrrolylmethyl-benzene (1 and 2, respectively) compounds and their crystal structures, along with those for the related disubstituted o-, m- and p-di-1-pyrrolylmethyl-benzene (3–5) derivatives are reported. The arrangements of molecules in the 1-D structure for 2–5 are controlled by the interplay of two different weak interactions: π–π and C–H⋯π (Ph) interactions. The absence of such interactions in the packing of 1 seems to be related to the arrangement of the pyrrolylmethyl arms with respect to the benzene core, which prevents the π cloud of the aromatic ring to be part of any intermolecular interaction. In addition, C–H⋯π (pyrrolyl) interact…

010405 organic chemistryStereochemistryChemistrySolid-stateGeneral ChemistryCrystal structure010402 general chemistryCondensed Matter PhysicsRing (chemistry)HEXA01 natural sciencesSolid state structure0104 chemical sciences3. Good healthCrystallographychemistry.chemical_compoundBenzene derivativesMoleculeGeneral Materials ScienceBenzeneCrystEngComm
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Back Cover: Carboranylphosphinic Acids: A New Class of Purely Inorganic Ligands (Chem. Eur. J. 11/2016)

2016

Hydrogen bondComputational chemistryChemistryOrganic ChemistryCover (algebra)General ChemistryCatalysisChemistry - A European Journal
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Highly Stable Neutral and Positively Charged Dicarbollide Sandwich Complexes

2005

Novel sandwich metallacarboranes commo-[3,3'-Ni(8-SMe2-1,2-C2B9H10)2] (1), commo-[3,3'-Co(8-SMe2-1,2-C2B9H10)2]+ (2+), commo-[3,3'-Ru(8-SMe2-1,2-C2B9H10)2] (4) and commo-[3,3'-Fe(8-SMe2-1,2-C2B9H10)2] (5) have been prepared by reaction of [10-SMe2-7,8-nido-C2B9H10]- with NiCl2 x 6 H2O, CoCl2, [RuCl2(dmso)4] and [FeCl2(dppe)], respectively. Reduction of 2+ with metallic Zn leads to the neutral and isolable complex commo-[3,3'-Co(8-SMe2-1,2-C2B9H10)2] (3). Theoretical calculations using the ZINDO/1 semiempirical method show three energy minima for complexes 1-3 and 5 that agree with the presence of three different rotamers in solution at low temperature, while four relative energy minima have…

010405 organic chemistryLigandOrganic ChemistryGeneral ChemistryCrystal structure010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesMetalNMR spectra databasechemistry.chemical_compoundCrystallographyFerrocenechemistryComputational chemistryvisual_artvisual_art.visual_art_mediumMoleculeZINDOConformational isomerismChemistry - A European Journal
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The [3,3′-Co(1,2-C2B9H11)2]– anion as a platform for new materials: synthesis of its functionalized monosubstituted derivatives incorporating synthon…

2003

[3,3′-Co(8-C5H10O-1,2-C2B9H10)(1′,2′-C2B9H11)] (2) was synthesized by reaction of the caesium salt of [Co(C2B9H11)2]− with dimethyl sulfate in the presence of sulfuric acid as catalyst and tetrahydropyrane as solvent; the zwitterionic compound (2) yielded [3,3′-Co(8-C4H4N-(CH2)5-O-1,2-C2B9H10)(1′,2′-C2B9H11)]− (6), [3,3′-Co(8-C8H6N-(CH2)5-O-1,2-C2B9H10)(1′,2′-C2B9H11)]− (7), and [3,3′-Co(8-C12H8N-(CH2)5-O-1,2-C2B9H10)(1′,2′-C2B9H11)]− (8) through the nucleophilic addition of potassium pyrrolyl, indolyl and carbazolyl, respectively. The nucleophilic addition of the same salts on [3,3′-Co(8-C4H8O2-1,2-C2B9H10)(1′,2′-C2B9H11)] (1) yielded, respectively, [3,3′-Co(8-C4H4N-(CH2)2-O-(CH2)2-O-1,2-C…

chemistry.chemical_classificationNucleophilic additionStereochemistryChemistrySynthonSalt (chemistry)Medicinal chemistryInorganic ChemistrySolventDimethyl sulfatechemistry.chemical_compoundNucleophileIntramolecular forceMoleculeDalton Transactions
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Carboranylphosphinic Acids: A New Class of Purely Inorganic Ligands

2015

Purely inorganic carboranyl phosphinates were prepared, and the influence of the cluster on the reactivity of the phosphinate group was studied. Electron-withdrawal by the carboranyl carbon atoms, combined with space-filling efficiency and enhanced aromaticity of the cluster cage, renders the phosphorus more difficult to oxidize. This enables carboranyl phosphinates to survive harsh oxidizing conditions, a property which is uncommon in organic phosphinates.

carboranes010405 organic chemistryHydrogen bondOrganic Chemistryphosphonateschemistry.chemical_elementAromaticityGeneral ChemistryPhosphinatehydrogen bonding010402 general chemistry01 natural sciencesCatalysis0104 chemical scienceschemistryOxidizing agentCluster (physics)Organic chemistryReactivity (chemistry)ta116CarbonphosphinateshydrophobicityChemistry - A European Journal
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Recent studies on RR′S·C2B9H11 charge-compensated ligands

2002

Abstract In this paper we report the synthesis of three new carborane derivatives of the series 7,8-R,R′-10-L-7,8-C2B9H9 (R=R′=H, L=SEtPh; R=CH3, R′=H, L=SMe2 and L=SEt2) along with the enhanced characterization of formerly described compounds 7,8-R,R′-10-L-7,8-C2B9H9 (R=R′=H, L=SMe2 (1), L=SEt2 (2) and L=S(CH2)4 (3)). They have been fully characterised using 1H-, 11B- and 13C-NMR spectroscopy. Their bridging proton resonances have been located for the first time. Individual sulfonium substituent contributions have been calculated that have permitted to establish a rule to predict its position in the 1H-NMR spectrum. The crystal structures of 1 and 3 have been resolved for the first time. T…

010405 organic chemistryLigandSulfoniumOrganic ChemistryThermal decompositionSubstituentCrystal structure010402 general chemistry01 natural sciencesBiochemistry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryComputational chemistryMaterials ChemistryCarboranePhysical and Theoretical ChemistrySpectroscopyIsomerizationJournal of Organometallic Chemistry
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Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds: the distinct distance tuning of C–C and its antipodal B–B

2019

Four-fold aryl substituted o-carborane derivatives with defined patterns of substitution at the antipodal region of the cluster carbon atoms have been achieved. It is proven that this region is congested but lacks steric hindrance. Also, the two antipodal sites Cc–Cc and B9–B12 are affected very distinctly by electron donor substituents.

Steric effectsIcosahedral symmetryAntipodal pointElectron donorCrystal structure010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compoundMaterials ChemistryCluster (physics)BoronO-carboranes010405 organic chemistryChemistryArylMetals and AlloysRegioselectivityGeneral Chemistry3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsPharmacophoresCrystallographyCrystal-structureCeramics and CompositesChemical Communications
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Photoluminescence in Carborane–Stilbene Triads : A Structural, Spectroscopic, and Computational Study

2016

A set of triads in which o- and m-carborane clusters are bonded to two stilbene units through Ccluster -CH2 bonds was synthesized, and their structures were confirmed by X-ray diffraction. A study on the influence of the o- and m- isomers on the absorption and photoluminescence properties of the stilbene units in solution revealed no charge-transfer contributions in the lowest excited state, as confirmed by (TD)DFT calculations. The presence of one or two B-I groups in m-carborane derivatives does not affect the emission properties of the stilbenes in solution, probably due to the rather large distance between the iodo substituents and the fluorophore. Nevertheless, a significant redshift o…

DiffractionFluorophorePhotoluminescencecarboranesalkenes010405 organic chemistryOrganic ChemistryGeneral Chemistry010402 general chemistryPhotochemistry01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundchemistryExcited statedensity functional calculationsluminescenceCarboraneAbsorption (chemistry)Thin filmLuminescenceta116photophysicsChemistry: A European Journal
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Electron Accumulative Molecules.

2018

With the goal to produce molecules with high electron accepting capacity and low reorganization energy upon gaining one or more electrons, a synthesis procedure leading to the formation of a B–N(aromatic) bond in a cluster has been developed. The research was focused on the development of a molecular structure able to accept and release a specific number of electrons without decomposing or change in its structural arrangement. The synthetic procedure consists of a parallel decomposition reaction to generate a reactive electrophile and a synthesis reaction to generate the B–N(aromatic) bond. This procedure has paved the way to produce the metallacarboranylviologen [M(C2B9H11)(C2B9H10)-NC5H4-…

010405 organic chemistryChemistryelectronsViologenmolekyylitGeneral ChemistryElectron010402 general chemistryelektronit01 natural sciencesBiochemistryChemical synthesisCatalysis0104 chemical sciencesCrystallographySingle electronColloid and Surface ChemistryElectrophileCluster (physics)medicineMoleculemoleculesta116Chemical decompositionmedicine.drugJournal of the American Chemical Society
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A solvent-free regioselective iodination route of ortho-carboranes.

2006

Tetraiodo-ortho-carborane based X-ray contrast agents can be readily prepared in a high yield, fast, clean, regioselective fashion by a solvent-free reaction of ortho-carboranes with iodine in sealed tubes.

inorganic chemicalsBoron Compoundschemistry.chemical_elementContrast MediaOrganic-reactions010402 general chemistryIodine01 natural sciencesChemical synthesisInorganic ChemistryQUIMICA ANALITICAOrganic chemistryheterocyclic compoundsSolvent freeintegumentary system010405 organic chemistryChemistryorganic chemicalsRegioselectivityHalogenationCombinatorial chemistry0104 chemical sciencesRadiographyChemical-synthesisOrganic reactionYield (chemistry)SolventsbacteriaDerivativesIodineDalton transactions (Cambridge, England : 2003)
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The Role of C–H···H–B Interactions in Establishing Rotamer Configurations in Metallabis(dicarbollide) Systems

2010

The aim of this work is to explore the self-interaction capability of the anion [3,3′-Co(1,2-C2B9H11)2]– through Ccluster–H···H–B (Cc–H···H–B) dihydrogen bonds. A set of theoretical and empirical data aiming to establish the main rules that account for the binding mode between the negatively charged borane framework made by [3,3′-Co(1,2-C2B9H11)2]– and the [NMe4]+ ions have been compiled. The interaction between cation and anion is mainly electrostatic but the covalent contribution is also proven and quantified. The existing intermolecular H···H short contacts have been studied and are compared with available data from the Cambridge Structural Database. The results show that the electronic …

Inorganic Chemistrychemistry.chemical_compoundchemistryCovalent bondComputational chemistryHydrogen bondIntermolecular forceAtomElectron configurationBoraneConformational isomerismIonEuropean Journal of Inorganic Chemistry
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A Discrete P⋅⋅⋅II⋅⋅⋅P Assembly: The Large Influence of Weak Interactions on the31P NMR Spectra of Phosphane–Diiodine Complexes

2006

Thioethers, except derivatives of [7-R-7,8-C2B9H11] , are more weakly coordinating ligands than phosphanes. This difference is evidenced by the I I distances in the spokeshaped charge-transfer (CT) complexes R2S·I2 and R3P·I2 (Figure 1). The I I distance is sensitive to the strength of the interaction between the s* LUMO orbital on I2 and the HOMO orbital of the donor atom: the stronger the donor, the longer the I I distance. In these spoke CT complexes, the I I distance varies from 3.2 0.2 7 in R3P·I2 adducts [5] to 2.80 0.05 7 in R2S·I2 adducts, [6] indicating the weaker donor character of the thioether group. Whereas extended I2 arrays, spoke adducts of I2, polyiodides, and other structu…

StereochemistryInteractionsPhosphanes010402 general chemistry01 natural sciencesCatalysisAdductPolyiodidechemistry.chemical_compoundThioetherMoleculeNon-covalent interactionsCarboranesHOMO/LUMOchemistry.chemical_classificationiodine010405 organic chemistryChemistryLigandStructure elucidationGeneral MedicineGeneral ChemistryNoncovalent0104 chemical sciencesChemistryCarboraneAngewandte Chemie International Edition
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Poly-iodinated closo 1,2-C 2 B 10 and nido [7,8-C 2 B 9 ] − carborane frameworks: Synthesis and consequences

2015

Abstract The preparation of Cc-monosubstituted closo and nido carborane derivatives, mono-, di and tetraiodinated is reported. Some of these mono-to poly-iodinated nido carboranes are studied in terms of the acidity of the open face bridging proton, their chemical shift position in the 1H NMR, and the lesser tendency to η5-coordination in parallel to a larger number of iodo groups.

carboranesSolvent freeStereochemistryChemistryOrganic ChemistryHalogenationsolvent freeBiochemistryInorganic ChemistryiodinationMaterials ChemistryProton NMRCarboranePhysical and Theoretical Chemistryta116acidityJournal of Organometallic Chemistry
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m-Carboranylphosphinate as Versatile Building Blocks To Design all Inorganic Coordination Polymers

2017

The first examples of coordination polymers of manganese(II) and a nickel(II) complex with a purely inorganic carboranylphosphinate ligand are reported, together with its exhaustive characterization. X-ray analysis revealed 1D polymeric chains with carboranylphosphinate ligands bridging two manganese(II) centers. The reactivity of polymer 1 with water and Lewis bases has also been studied Thanks to MINECO (CTQ2015-66143-P, CTQ2010-16237 and SEV-2015-0496), Generalitat de Catalunya (2014/SGR/149), and COST CM1302. E.O. who is enrolled in the PhD program of the UAB thanks for FPU grant

Manganese compoundsInorganic chemistrychemistry.chemical_elementManganese010402 general chemistry01 natural sciencesInorganic ChemistryPolymer chemistrycarboranylphosphinatecoordination complexesLewis acids and basesPhysical and Theoretical Chemistryta116polymerschemistry.chemical_classificationQuímica inorgànica010405 organic chemistryLigandPolymerChemistry Inorganic0104 chemical sciencesNickelManganès -- Compostoscoordination polymerschemistrymanganeseInorganic Chemistry
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Synthesis of Globular Precursors

2015

o-Carborane (C2 B10 H12 ) was adapted to perform as the core of globular macromolecules, dendrons or dendrimers. To meet this objective, precisely defined substitution patterns of terminal olefin groups on the carborane framework were subjected to Heck cross-coupling reactions or hydroboration leading to hydroxyl terminated arms. These led to new terminal groups (chloro, bromo, and tosyl leaving groups, organic acid, and azide) that permitted ester production, click chemistry, and oxonium ring opening to be performed as examples of reactions that demonstrate the wide possibilities of the globular icosahedral carboranes to produce new dendritic or dendrimer-like structures. Polyanionic speci…

carboranesStereochemistrydendronsOrganic ChemistryGeneral ChemistryCatalysismultibranched compoundsHydroborationchemistry.chemical_compoundpolyanionsNucleophileTosylchemistryDendrimerClick chemistrycross-couplingCarboraneAzideOxonium ionta116Chemistry: A European Journal
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Relaxed but highly compact diansa metallacyclophanes.

2011

A series of monoansa [μ-1,1′-PR-3,3′-Co(1,2-C2B9H10)2]− and diansa [8,8′-μ-(1″,2″-benzene)-μ-1,1′-PR-3,3′-Co(1,2-C2B9H9)2]− (R = Ph, tBu) cobaltabisdicarbollidephanes have been synthesized, characterized and studied by NMR, MALDI-TOF-MS, UV-visible spectroscopy, cyclic voltammetry, and DFT calculations. Single crystal X-ray diffraction revealed a highly relaxed structure characterized by the title angle α of 3.8° ([7]−), this being the smallest angle α for a metallacyclophane. In such compounds, the metal-to-phosphorus distance is less than the sum of their van der Waals radii. The availability of a phosphorus lone pair causes an electron delocalization through the metal, as shown by the ab…

Models MolecularElectron-transferchemistry.chemical_elementPhosphanesNanotechnologyStereoisomerism010402 general chemistryCrystallography X-Ray01 natural sciencesBiochemistryCatalysisElectron transferColloid and Surface ChemistryOrganometallic CompoundsMoleculeMetallocenophanesta116Group 2 organometallic chemistryMolecular Structure010405 organic chemistryChemistryStereoisomerismGeneral ChemistryCobalt0104 chemical sciencesChemistryPhysical chemistryQuantum TheoryMonoansaMetallacarboranesCobaltDiansaJournal of the American Chemical Society
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Towards purely inorganic clusters in medicine: Biocompatible divalent cations as counterions of cobaltabis(dicarbollide) and its iodinated derivatives

2021

Monovalent cations, Cs+, and alkylammonium ([NR4]+) salts have traditionally been used to precipitate the anions of boranes, carborane and metallocarborane clusters. In contrast, in the body and in living organisms in general, divalent cations have a special relevance. In this work, we isolate for the first time the cobaltabis(dicarbollide) salts of the biocompatible divalent cations of biological importance that can have application both in biology and in materials science. The preparation of Ca2+, Mg2+ and Fe2+ salts of anionic iodinated nido-[C2B9H12]− and cobaltabis(dicarbollide) as well as its di-, tetra- and octa-iodinated derivatives are reported. Ca2+ and Mg2+ are hard Lewis acids a…

X-ray contrastanionitDual-actionBoranesBiochemistryDivalentjodiInorganic Chemistrychemistry.chemical_compoundBone biomaterialsPolymer chemistryMaterials ChemistryAcetoneMoleculeLewis acids and basesPhysical and Theoretical Chemistrychemistry.chemical_classificationkalsiumChemistrydual-action biocompatibleOrganic ChemistrykationitSmall moleculeBiocompatibleX-ray contrastCarboraneCalciumMetallacarboranesCounterionbiomateriaalitIodine
researchProduct

Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]

2017

This work investigates the meta-ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7-closo-C2B9H11)2]− anions and disordered [N(CH3)4]+ cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions. peerReviewed

crystals [structures]metallabis(dicarbollide)dihydrogen bondskemiaröntgentekniikkameta-carboraneHirshfeld studyröntgenkristallografia
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Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds : the distinct distance tuning of C-C and its antipodal B-B

2019

Four-fold aryl substituted o-carborane derivatives with defined patterns of substitution at the antipodal region of the cluster carbon atoms have been achieved. It is proven that this region is congested but lacks steric hindrance. Also, the two antipodal sites Cc-Cc and B9-B12 are affected very distinctly by electron donor substituents. peerReviewed

klusteritcarboraneskemialliset yhdisteetbooricluster compounds
researchProduct

CCDC 1058310: Experimental Crystal Structure Determination

2015

Related Article: Marius Lupu, Adnana Zaulet, Francesc Teixidor, Reijo Sillanpää, Clara Viñas|2015|J.Organomet.Chem.|798|171|doi:10.1016/j.jorganchem.2015.05.053

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-methyl-912-di-iodo-12-dicarba-closo-dodecaborane(9)Experimental 3D Coordinates
researchProduct

CCDC 910884: Experimental Crystal Structure Determination

2014

Related Article: Màrius Tarrés, Clara Viñas, Ana M. Cioran, Mikko M. Hänninen, Reijo Sillanpää, Francesc Teixidor|2014|Chem.-Eur.J.|20|15808|doi:10.1002/chem.201403424

tris(mu-acetone)-bis(55'-4-(2-[2-(dioxidan-2-id-1-yl)ethoxy]ethoxy)butyl)-11'-commo-(1-ferro-23-dicarba-closo-dodecaborane(10))-(1'-ferro-2'3'-dicarba-closo-dodecaborane(10))-di-sodiumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1534780: Experimental Crystal Structure Determination

2017

Related Article: Elena Oleshkevich, Clara Viñas, Isabel Romero, Duane Choquesillo-Lazarte, Matti Haukka, Francesc Teixidor|2017|Inorg.Chem.|56|5502|doi:10.1021/acs.inorgchem.7b00610

Space GroupCrystallographyCrystal Systemhexaaqua-nickel(ii) bis(17-dicarba-closo-dodecaborane(11)-1-phosphinate)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2149703: Experimental Crystal Structure Determination

2022

Related Article: Ines Bennour, M. Núria Ramos, Miquel Nuez-Martínez, Jewel Ann Maria Xavier, Ana B. Buades, Reijo Sillanpää, Francesc Teixidor, Duane Choquesillo-Lazarte, Isabel Romero, Margarita Martinez-Medina, Clara Viñas|2022|Dalton Trans.|51|7188|doi:10.1039/D2DT01015A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersoxonium 33'-commo-bis(3-cobalta-12-dicarba-closo-dodecaborate) pentahydrateExperimental 3D Coordinates
researchProduct

CCDC 1581998: Experimental Crystal Structure Determination

2018

Related Article: Ana B. Buades, Víctor Sanchez Arderiu, David Olid-Britos, Clara Viñas, Reijo Sillanpää, Matti Haukka, Xavier Fontrodona, Markos Paradinas, Carmen Ocal, Francesc Teixidor|2018|J.Am.Chem.Soc.|140|2957|doi:10.1021/jacs.7b12815

Space GroupCrystallographyCrystal SystemCrystal Structure33'-commo-(8-(pyridine-N)-3-cobalta-12-dicarba-closo-dodecaborane(10))-(3'-cobalta-1'2'-dicarba-closo-dodecaborane(11))Cell ParametersExperimental 3D Coordinates
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CCDC 1527813: Experimental Crystal Structure Determination

2017

Related Article: Ines Bennour, Matti Haukka, Francesc Teixidor, Clara Viñas, Ahlem Kabadou|2017|J.Organomet.Chem.|846|74|doi:10.1016/j.jorganchem.2017.05.047

Space GroupCrystallographyCrystal SystemCrystal Structuretetramethylammonium 22'-commo-bis(2-ferra-17-dicarba-closo-dodecaborate)Cell ParametersExperimental 3D Coordinates
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CCDC 1058313: Experimental Crystal Structure Determination

2015

Related Article: Marius Lupu, Adnana Zaulet, Francesc Teixidor, Reijo Sillanpää, Clara Viñas|2015|J.Organomet.Chem.|798|171|doi:10.1016/j.jorganchem.2015.05.053

Space GroupCrystallographyCrystal SystemTetramethylammonium 5-iodo-78-dicarba-nido-undecaborate(10)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1913783: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters912-bis(4-formylphenyl)-12-dicarba-closo-dodecaborane(10)Experimental 3D Coordinates
researchProduct

CCDC 1425778: Experimental Crystal Structure Determination

2015

Related Article: Arántzazu González-Campo, Emilio José Juárez-Pérez, Clara Viñas, Bruno Boury, Reijo Sillanpää, Raikko Kivekäs and Rosario Núñez|2008|Macromolecules|41|8458|doi:10.1021/ma801483c

Space GroupCrystallographyCrystal SystemCrystal Structure1133-tetramethyl-13-bis(3-(2-methyl-12-dicarba-closo-dodecaborane(10)-1-yl)propyl)disiloxaneCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1569221: Experimental Crystal Structure Determination

2017

Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177

Space GroupCrystallographyCrystal SystemCrystal Structure12-bis((4-(2-phenylethenyl)phenyl)methyl)-12-dicarba-closo-dodecaborane(10)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 910883: Experimental Crystal Structure Determination

2014

Related Article: Màrius Tarrés, Clara Viñas, Ana M. Cioran, Mikko M. Hänninen, Reijo Sillanpää, Francesc Teixidor|2014|Chem.-Eur.J.|20|15808|doi:10.1002/chem.201403424

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstris(mu2-Acetone)-(88'-(4-(2-oxyethoxyethoxy)-n-butyl)-33'-commo-bis(3-cobalta-12-dicarba-closo-dodecaborate))-di-sodiumExperimental 3D Coordinates
researchProduct

CCDC 986488: Experimental Crystal Structure Determination

2014

Related Article: Albert Ferrer-Ugalde, Arántzazu González-Campo, Clara Viñas, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Reijo Sillanpää, Antonio Sousa-Pedrares, Rosario Núñez, Francesc Teixidor|2014|Chem.-Eur.J.|20|9940|doi:10.1002/chem.201402396

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersDimethyl(2-(fluoren-2-yl)ethenyl)(3-(1-methyl-12-dicarba-closo-dodecaboranyl)propyl)silaneExperimental 3D Coordinates
researchProduct

CCDC 1582429: Experimental Crystal Structure Determination

2018

Related Article: Ana B. Buades, Víctor Sanchez Arderiu, David Olid-Britos, Clara Viñas, Reijo Sillanpää, Matti Haukka, Xavier Fontrodona, Markos Paradinas, Carmen Ocal, Francesc Teixidor|2018|J.Am.Chem.Soc.|140|2957|doi:10.1021/jacs.7b12815

Space GroupCrystallography33'-commo-(8-(pyridine-N)-3-ferra-12-dicarba-closo-dodecaborane(10))-(3'-ferra-1'2'-dicarba-closo-dodecaborane(11))Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1582000: Experimental Crystal Structure Determination

2018

Related Article: Ana B. Buades, Víctor Sanchez Arderiu, David Olid-Britos, Clara Viñas, Reijo Sillanpää, Matti Haukka, Xavier Fontrodona, Markos Paradinas, Carmen Ocal, Francesc Teixidor|2018|J.Am.Chem.Soc.|140|2957|doi:10.1021/jacs.7b12815

Space GroupCrystallographyCrystal SystemNN'-bis(33'-commo-(3-cobalta-12-dicarba-closo-dodecaborane(10))-(3'-cobalta-1'2'-dicarba-closo-dodecaborane(11))-8-yl)-44'-bipyridine tetrahydrofuran solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 970547: Experimental Crystal Structure Determination

2014

Related Article: Màrius Tarrés, Clara Viñas, Patricia González-Cardoso, Mikko M. Hänninen, Reijo Sillanpää, Vladimír Dordovič, Mariusz Uchman, Francesc Teixidor, Pavel Matejíček|2014|Chem.-Eur.J.|20|6786|doi:10.1002/chem.201402193

Space GroupCrystallography(mu~2~-119-bis(55''-(11'-commo-bis(1-cobalta-23-dicarba-closo-dodecaborate(11))))-3691215-pentaoxaheptadecane-117-diolate)-(mu~2~-acetone)-di-sodiumCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1434442: Experimental Crystal Structure Determination

2015

Related Article: Elena Oleshkevich, Francesc Teixidor, Duane Choquesillo-Lazarte, Reijo Sillanpää, Clara Viñas|2016|Chem.-Eur.J.|22|3665|doi:10.1002/chem.201504408

Space GroupCrystallographyhexakis(mu2-Aqua)-octa-aqua-tetra-sodium hydrogen 2-methyl-12-dicarba-closo-dodecaboranylphosphinate dihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986493: Experimental Crystal Structure Determination

2014

Related Article: Albert Ferrer-Ugalde, Arántzazu González-Campo, Clara Viñas, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Reijo Sillanpää, Antonio Sousa-Pedrares, Rosario Núñez, Francesc Teixidor|2014|Chem.-Eur.J.|20|9940|doi:10.1002/chem.201402396

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters22'-Diphenyl-11'-(anthracene-910-diyldimethylene)bis(12-dicarba-closo-dodecaborane)Experimental 3D Coordinates
researchProduct

CCDC 1569224: Experimental Crystal Structure Determination

2017

Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177

Space GroupCrystallographyCrystal System910-diiodo-17-bis((4-(2-phenylethenyl)phenyl)methyl)-17-dicarba-closo-dodecaborane(8) unknown solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1434443: Experimental Crystal Structure Determination

2016

Related Article: Elena Oleshkevich, Francesc Teixidor, Duane Choquesillo-Lazarte, Reijo Sillanpää, Clara Viñas|2016|Chem.-Eur.J.|22|3665|doi:10.1002/chem.201504408

Space GroupCrystallographyCrystal Systemoxonium 1-chlorophosphinato-2-methyl-12-dicarba-closo-dodecaborane(10) monohydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986492: Experimental Crystal Structure Determination

2014

Related Article: Albert Ferrer-Ugalde, Arántzazu González-Campo, Clara Viñas, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Reijo Sillanpää, Antonio Sousa-Pedrares, Rosario Núñez, Francesc Teixidor|2014|Chem.-Eur.J.|20|9940|doi:10.1002/chem.201402396

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters22'-Dimethyl-11'-(anthracene-910-diyldimethylene)bis(12-dicarba-closo-dodecaborane) dichloromethane solvateExperimental 3D Coordinates
researchProduct

CCDC 1058311: Experimental Crystal Structure Determination

2015

Related Article: Marius Lupu, Adnana Zaulet, Francesc Teixidor, Reijo Sillanpää, Clara Viñas|2015|J.Organomet.Chem.|798|171|doi:10.1016/j.jorganchem.2015.05.053

Trimethylammonium 5611-tris(iodo)-910-muH-78-dicarba-nido-undecaborate(7)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1569223: Experimental Crystal Structure Determination

2017

Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters17-bis((4-ethenylphenyl)methyl)-910-diiodo-17-dicarba-closo-dodecaborane(8)Experimental 3D Coordinates
researchProduct

CCDC 1569222: Experimental Crystal Structure Determination

2017

Related Article: Justo Cabrera-González, Clara Viñas, Matti Haukka, Santanu Bhattacharyya, Johannes Gierschner, Rosario Núñez|2016|Chem.-Eur.J.|22|13588|doi:10.1002/chem.201601177

17-bis((4-(2-phenylethenyl)phenyl)methyl)-17-dicarba-closo-dodecaborane(10)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1913782: Experimental Crystal Structure Determination

2019

Related Article: Zsolt Kelemen, Ariadna Pepiol, Marius Lupu, Reijo Sillanpää, Mikko M. Hänninen, Francesc Teixidor, Clara Viñas|2019|Chem.Commun.|55|8927|doi:10.1039/C9CC04526K

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters912-bis(4-(dimethoxymethyl)phenyl)-12-dicarba-closo-dodecaborane(10)Experimental 3D Coordinates
researchProduct

CCDC 1534778: Experimental Crystal Structure Determination

2017

Related Article: Elena Oleshkevich, Clara Viñas, Isabel Romero, Duane Choquesillo-Lazarte, Matti Haukka, Francesc Teixidor|2017|Inorg.Chem.|56|5502|doi:10.1021/acs.inorgchem.7b00610

Space GroupCrystallographytetraaqua-bis(17-dicarba-closo-dodecaborane(11)-1-phosphinato)-manganese(ii) dihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1562911: Experimental Crystal Structure Determination

2019

Related Article: Zsolt Kelemen, Ariadna Pepiol, Marius Lupu, Reijo Sillanpää, Mikko M. Hänninen, Francesc Teixidor, Clara Viñas|2019|Chem.Commun.|55|8927|doi:10.1039/C9CC04526K

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters912-diallyl-810-diphenyl-12-dicarba-closo-dodecaborane(8) chloroform solvateExperimental 3D Coordinates
researchProduct

CCDC 1534777: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographycatena-[bis(mu-17-dicarba-closo-dodecaborane(11)-1-phosphinato)-bis(methanol)-manganese(ii) methanol solvate]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2149633: Experimental Crystal Structure Determination

2022

Related Article: Ines Bennour, M. Núria Ramos, Miquel Nuez-Martínez, Jewel Ann Maria Xavier, Ana B. Buades, Reijo Sillanpää, Francesc Teixidor, Duane Choquesillo-Lazarte, Isabel Romero, Margarita Martinez-Medina, Clara Viñas|2022|Dalton Trans.|51|7188|doi:10.1039/D2DT01015A

Space GroupCrystallographyCrystal SystemCrystal Structurecesium 33'-commo-bis(8-iodo-3-ferra-12-dicarba-closo-dodecaborate) acetonitrile solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1582430: Experimental Crystal Structure Determination

2018

Related Article: Ana B. Buades, Víctor Sanchez Arderiu, David Olid-Britos, Clara Viñas, Reijo Sillanpää, Matti Haukka, Xavier Fontrodona, Markos Paradinas, Carmen Ocal, Francesc Teixidor|2018|J.Am.Chem.Soc.|140|2957|doi:10.1021/jacs.7b12815

Space GroupCrystallographyCrystal System33'-commo-(8-(44'-bipyridine-N)-3-ferra-12-dicarba-closo-dodecaborane(10))-(3'-ferra-1'2'-dicarba-closo-dodecaborane(11)) acetonitrile solvate monohydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1058312: Experimental Crystal Structure Determination

2015

Related Article: Marius Lupu, Adnana Zaulet, Francesc Teixidor, Reijo Sillanpää, Clara Viñas|2015|J.Organomet.Chem.|798|171|doi:10.1016/j.jorganchem.2015.05.053

Space GroupCrystallographyCrystal SystemCrystal StructureTrimethylammonium 15610-tetrakis(iodo)-7-phenyl-910-muH-78-dicarba-nido-undecaborate(6)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1582431: Experimental Crystal Structure Determination

2018

Related Article: Ana B. Buades, Víctor Sanchez Arderiu, David Olid-Britos, Clara Viñas, Reijo Sillanpää, Matti Haukka, Xavier Fontrodona, Markos Paradinas, Carmen Ocal, Francesc Teixidor|2018|J.Am.Chem.Soc.|140|2957|doi:10.1021/jacs.7b12815

Space GroupCrystallographyNN'-bis(33'-commo-(3-ferra-12-dicarba-closo-dodecaborane(10))-(3'-ferra-1'2'-dicarba-closo-dodecaborane(11))-8-yl)-44'-bipyridine acetonitrile solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1871938: Experimental Crystal Structure Determination

2019

Related Article: Zsolt Kelemen, Ariadna Pepiol, Marius Lupu, Reijo Sillanpää, Mikko M. Hänninen, Francesc Teixidor, Clara Viñas|2019|Chem.Commun.|55|8927|doi:10.1039/C9CC04526K

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters81012-triphenyl-9-iodo-12-dicarba-closo-dodecaborane(8)Experimental 3D Coordinates
researchProduct

CCDC 1534779: Experimental Crystal Structure Determination

2017

Related Article: Elena Oleshkevich, Clara Viñas, Isabel Romero, Duane Choquesillo-Lazarte, Matti Haukka, Francesc Teixidor|2017|Inorg.Chem.|56|5502|doi:10.1021/acs.inorgchem.7b00610

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu-17-dicarba-closo-dodecaborane(11)-1-phosphinato)-(22'-bipyridine)-manganese(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1056507: Experimental Crystal Structure Determination

2015

Related Article: Francesc Teixidor, Reijo Sillanpää, Ariadna Pepiol, Marius Lupu and Clara Viñas|2015|Chem.-Eur.J.|21|12778|doi:10.1002/chem.201501223

Space GroupCrystallographyCrystal System891012-tetrakis(prop-1-en-3-yl)-12-dicarba-closo-dodecaborane(8)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986490: Experimental Crystal Structure Determination

2014

Related Article: Albert Ferrer-Ugalde, Arántzazu González-Campo, Clara Viñas, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Reijo Sillanpää, Antonio Sousa-Pedrares, Rosario Núñez, Francesc Teixidor|2014|Chem.-Eur.J.|20|9940|doi:10.1002/chem.201402396

Space GroupCrystallography1-(Anthracen-9-ylmethyl)-2-phenyl-12-dicarba-closo-dodecaboraneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986489: Experimental Crystal Structure Determination

2014

Related Article: Albert Ferrer-Ugalde, Arántzazu González-Campo, Clara Viñas, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Reijo Sillanpää, Antonio Sousa-Pedrares, Rosario Núñez, Francesc Teixidor|2014|Chem.-Eur.J.|20|9940|doi:10.1002/chem.201402396

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(Anthracen-9-ylmethyl)-2-methyl-12-dicarba-closo-dodecaboraneExperimental 3D Coordinates
researchProduct

CCDC 1434445: Experimental Crystal Structure Determination

2015

Related Article: Elena Oleshkevich, Francesc Teixidor, Duane Choquesillo-Lazarte, Reijo Sillanpää, Clara Viñas|2016|Chem.-Eur.J.|22|3665|doi:10.1002/chem.201504408

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-((mu4-Hydrogen 17-dicarba-closo-dodecaboran-1-ylphosphinato)-(mu3-hydrogen 17-dicarba-closo-dodecaboran-1-ylphosphinato)-(mu2-isopropoxo)-di-sodium)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986491: Experimental Crystal Structure Determination

2014

Related Article: Albert Ferrer-Ugalde, Arántzazu González-Campo, Clara Viñas, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Reijo Sillanpää, Antonio Sousa-Pedrares, Rosario Núñez, Francesc Teixidor|2014|Chem.-Eur.J.|20|9940|doi:10.1002/chem.201402396

12-bis(Anthracen-9-ylmethyl)-12-dicarba-closo-dodecaborane dichloromethane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1871937: Experimental Crystal Structure Determination

2019

Related Article: Zsolt Kelemen, Ariadna Pepiol, Marius Lupu, Reijo Sillanpää, Mikko M. Hänninen, Francesc Teixidor, Clara Viñas|2019|Chem.Commun.|55|8927|doi:10.1039/C9CC04526K

Space GroupCrystallography891012-tetraphenyl-12-dicarba-closo-dodecaborane(8)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1434444: Experimental Crystal Structure Determination

2016

Related Article: Elena Oleshkevich, Francesc Teixidor, Duane Choquesillo-Lazarte, Reijo Sillanpää, Clara Viñas|2016|Chem.-Eur.J.|22|3665|doi:10.1002/chem.201504408

Space GroupCrystallography1-bis(dimethylamino)phosphanyl-12-dicarba-closo-dodecaborane(11)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1058314: Experimental Crystal Structure Determination

2015

Related Article: Marius Lupu, Adnana Zaulet, Francesc Teixidor, Reijo Sillanpää, Clara Viñas|2015|J.Organomet.Chem.|798|171|doi:10.1016/j.jorganchem.2015.05.053

1-Benzyl-2-methyl-891012-tetrakis(iodo)-12-dicarba-closo-dodecaborane(6)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 906346: Experimental Crystal Structure Determination

2013

Related Article: Arántzazu González-Campo, Albert Ferrer-Ugalde, Clara Viñas, Francesc Teixidor, Reijo Sillanpää, Jesús Rodríguez-Romero, Rosa Santillan, Norberto Farfán, Rosario Núñez|2013|Chem.-Eur.J.|19|6299|doi:10.1002/chem.201203771

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters135-tris(4-(3-(1-methyl-12-dicarbadodecaboran-2-yl)propoxy)phenyl)benzene hexane solvateExperimental 3D Coordinates
researchProduct

CCDC 713126: Experimental Crystal Structure Determination

2011

Related Article: Emilio José Juárez-Pérez, Rosario Núñez, Clara Viñas, Reijo Sillanpää, Francesc Teixidor|2010|Eur.J.Inorg.Chem.|2010|2385|doi:10.1002/ejic.201000157

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersTetramethylammonium 33'-commo-bis(3-cobalta-12-dicarba-closo-dodecaborane(11))Experimental 3D Coordinates
researchProduct