0000000000023124

AUTHOR

Rosa Llusar

0000-0002-3539-7269

showing 31 related works from this author

Synthesis and molecular and electronic structures of a series of Mo3CoSe4 cluster complexes with three different metal electron populations.

2008

The synthesis, crystal structure, and magnetic properties of [Mo 3(CoCO)Se 4(dmpe) 3Cl 3] ( 1), [Mo 3(CoCl)Se 4(dmpe) 3Cl 3] ( 2), and [Mo 3(CoCl)Se 4(dmpe) 3Cl 3](TCNQ) ([ 2](TCNQ)) (dmpe = 1,2-bis(dimethylphosphanyl)ethane; TCNQ = 7,7,8,8-tetracyanoquinomethane) cubane-type complexes with 16, 15, and 14 metal electrons, respectively, are reported. These compounds complete the series of cobalt-containing Mo 3CoQ 4 (Q = S, Se) cubane-type complexes, which allows a complete analysis of the consequences of replacing the inner chalcogen and the metal electron count on the structural, magnetic, and electrochemical properties. The experimental evidence is theoretically supported and rationalized…

ChemistryHeteroatomElectronCrystal structureElectrochemistrylaw.inventionInorganic ChemistryMetalChalcogenCrystallographylawComputational chemistryvisual_artvisual_art.visual_art_mediumPhysical and Theoretical ChemistryElectron paramagnetic resonanceHOMO/LUMOInorganic chemistry
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Synthesis, molecular structures and EPR spectra of the paramagnetic cuboidal clusters with Mo3S4Ga cores

2017

Electron precise [Mo3(l3-S)(l-S)3(diphos)3Br3]Br (diphos = dppe, dmpe) incomplete cuboidal clusters with six cluster skeletal electrons (CSE) were converted into paramagnetic cuboidal [Mo3(GaBr)(l3-S)4- (diphos)3Br3] clusters by treatment with elemental Ga. The new heterobimetallic complexes with nine CSE possess a doublet ground state with the unpaired electron density delocalized over the three molybdenum atoms.

010405 organic chemistryChemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesCatalysisSpectral line0104 chemical scienceslaw.inventionDelocalized electronParamagnetismCrystallographyUnpaired electronlawComputational chemistryMolybdenumMaterials ChemistryCluster (physics)Ground stateElectron paramagnetic resonance
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Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands

2004

A trinuclear cluster complex containing the Mo(3)S(7) central unit coordinated to dithiolate ligands, in particular the organic dmit (1,3-dithia-2-thione-4,5-dithiolate) anion, has been used to prepare a single-component molecular conductor formed by the threefold symmetry magnetic building block Mo(3)S(7)(dmit)(3) (1). The [Mo(3)S(7)(dmit)(3)](2)(-) ([1](2)(-)) diamagnetic anion forms dimers by interaction between the electrophilic cluster axial sulfur atoms and the sulfur atoms of the outer dithiolate ligand. Additional contacts between adjacent dmit ligands result in chain formation. The two-electron oxidation of [1](2)(-) yields to a three-dimensional molecular solid formed by neutral M…

ChemistryStereochemistryLigandIntermolecular forceGeneral ChemistryBlock (periodic table)BiochemistryCatalysisIonCrystallographyColloid and Surface ChemistryMolecular solidCluster (physics)DiamagnetismMolecular orbitalJournal of the American Chemical Society
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Cubane-Type Mo3FeS44+,5+ Complexes Containing Outer Diphosphane Ligands: Ligand Substitution Reactions, Spectroscopic Studies, and Electronic Structu…

2012

A general protocol to access Mo(3)FeS(4)(4+) clusters selectively modified at the Fe coordination site is presented starting from the all-chlorine Mo(3)(FeCl)S(4)(dmpe)(3)Cl(3) (1) [dmpe = 1,2-bis(dimethylphosphane-ethane)] cluster and tetrabutylammonium salts (n-Bu(4)NX) (X = CN(-), N(3)(-), and PhS(-)). Clusters Mo(3)(FeX)S(4)(dmpe)(3)Cl(3) [X = CN(-) (2), N(3)(-) (3), and PhS(-) (4)] are prepared in high yield, and comparison of geometric and redox features upon modification of the coordination environment at the Fe site at parity of ligands at the Mo sites is also presented. The existence of the cubane-type Mo(3)FeS(4)(4+,5+) redox couple is demonstrated by cyclic voltammetry and for co…

Models MolecularPhosphinesIronInorganic chemistryMolecular ConformationElectronsInorganic chemicalsLigandsRedoxlaw.inventionInorganic Chemistrychemistry.chemical_compoundlawOrganometallic CompoundsReactionsDiphosphanePhysical and Theoretical ChemistryElectron paramagnetic resonanceMolybdenumLigandMagnetic PhenomenaSpectrum AnalysisDiphosphane ligandsMagnetic susceptibilityCrystallographychemistryCubaneQuantum TheoryDensity functional theoryCyclic voltammetryOxidation-ReductionSulfurInorganic Chemistry
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[Cr(dpa)(ox)2]–: a new bis-oxalato building block for the design of heteropolymetallic systems. Crystal structures and magnetic properties of PPh4[Cr…

2001

[EN] The new complexes of formulae PPh4[Cr(dpa)(ox)(2)] (1), AsPh4[Cr(dpa)(OX)(2)] (2), Hdpa[Cr(dpa)(ox)(2)]-4H(2)O (3), Rad[Cr(dpa)(ox)(2)] . H2O (4) and Sr[Cr(dpa)(ox)(2)](2) . 8H(2)O (5) [PPh4 = tetraphenylphosphonium cation; AsPh4 = tetraphenylarsoniurn cation; dpa = 2,T-dipyridylamine; ox = oxalate dianion; Rad = 2-(4-N-methylpyridinium)4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-a-oxyl-3-N-oxide] have been prepared and characterised by single-crystal X-ray diffraction. The structures of 1-4 consist of discrete [Cr(dpa)(ox)(2)](-) anions, tetraphenylphosphonium. (1), tetraphenylarsonium (2), monoprotonated Hdpa (3) and univalent radical (4) cations and uncoordinated water molecules (2-…

Metal ions in aqueous solutionInorganic chemistryLinear trichromium complexeschemistry.chemical_elementNitronyl nitroxide radicalsCrystal structureChlorideCatalysisOxalateElectronic-Propertieschemistry.chemical_compoundChromiumMaterials ChemistryMoleculeCr contactsMonohydrateMolecular-StructureChemistryLigandGeneral ChemistryAtoms LiCrystallographyGaussian-Basis setsOctahedronFISICA APLICADACopper(II) complexesChirality (chemistry)New Journal of Chemistry
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Cubane-Type Mo3CoS4 Molecular Clusters with Three Different Metal Electron Populations: Structure, Reactivity and Their Use in the Synthesis of Hybri…

2004

Heterodimetallic cubane-type complexes coordinated to diphosphanes [Mo(3)CoS(4)(dmpe)(3)Cl(4)](+) ([1](+)) (dmpe=1,2-bis(dimethylphosphanyl)ethane), [Mo(3)CoS(4)(dmpe)(3)Cl(4)] (1) and [Mo(3)CoS(4)(dmpe)(3)Cl(3)(CO)] (2) with 14, 15 and 16 metal electrons, respectively, have been prepared from the [Mo(3)S(4)(dmpe)(3)Cl(3)](+) trinuclear precursor using [Co(2)(CO)(8)] or CoCl(2) as cobalt source. Cluster complexes [1](+) and 1 are easily interconverted chemically and electrochemically. The Co-Cl distance increases upon electron addition and substitution of the chlorine atom coordinated to cobalt with CO only takes place in presence of a reducing agent to give complex 2. Structural changes in…

biologyChemistryOrganic ChemistryInorganic chemistrychemistry.chemical_elementGeneral ChemistryZero field splittingMagnetic susceptibilityCatalysisParamagnetismchemistry.chemical_compoundCrystallographyUnpaired electronCubanebiology.proteinAntiferromagnetismCobaltOrganic anionChemistry - A European Journal
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[Cr(bpym)(C2O4)2]− in designing heterometallic complexes. Crystal structures and magnetic properties of PPh4[Cr(bpym)(C2O4)2]·H2O and [Ag(bpym)][Cr(C…

2002

Abstract The preparation, crystal structure and magnetic properties of PPh 4 [Cr(bpym)(C 2 O 4 ) 2 ]·H 2 O ( 1 ) and [Ag(bpym)][Cr(C 2 O 4 ) 2 (H 2 O) 2 ]·2H 2 O ( 2 ) (C 2 O 4  2− =oxalate dianion, bpym=2,2′-bipyrimidine and PPh 4  + =tetraphenylphosphonium cation) are described. The structure of 1 is made up of discrete (2,2′-bipyrimidine)bis(oxalato)chromate(III) anions, teraphenylphosphonium cations and uncoordinated water molecules. The structure of 2 consists chains of univalent silver cations bridged by bis-chelating 2,2′-bypyrimidine, cis -diaquabis(oxalato)chromate(III) anions and crystallisation water molecules. The chromium atom in 1 and 2 has a slightly distorted octahedral geom…

DenticityStereochemistryCrystal structureMagnetic susceptibilityOxalateInorganic ChemistryBond lengthchemistry.chemical_compoundCrystallographychemistryOctahedral molecular geometryMaterials ChemistryMoleculeAntiferromagnetismPhysical and Theoretical ChemistryInorganica Chimica Acta
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Insight into the mechanism of diazocompounds transformation catalyzed by hetero cuboidal clusters [Mo3CuQ4(MeBPE)3X4]+, (Q=S, Se; X=Cl, Br): The cata…

2008

Abstract Two enantiomerically pure trinuclear compounds of formula (P)-[Mo3S4{(R,R)-Me–BPE}3Br3]Br and (P)-[Mo3Se4{(R,R)-Me–BPE}3Cl3]Cl, (P)-1b.Br and (P)-1c.Cl, respectively, have been synthesized in a good yield and a stereospecific manner by excision of polymeric [Mo3Q7X4]n (Q = S or Se, X = Cl or Br) phases with (R,R)-Me–BPE{1,2-bis[(2R,5R)-2,5-(dimethylphospholan-1-yl)]ethane}. They have been transformed into chiral hetereo cuboidal compounds [Mo3S4{(R,R)-Me–BPE}3Br3]PF6, (P)-2b.PF6, and [Mo3Se4{(R,R)-Me–BPE}3Cl3]PF6, (P)-2c.PF6, by reaction with copper salts. All these compounds have been characterized by 31P NMR, IR, UV–Vis, mass spectrometry, elemental analysis, and chiral dichroism…

BromineCarbene dimerizationCyclopropanationStereochemistryCyclopropanationOrganic ChemistryPhosphanechemistry.chemical_elementChalcogeneBiochemistryMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundStereospecificitychemistryEthyl diazoacetateChiralYield (chemistry)Materials ChemistryPhysical and Theoretical ChemistryDiazo esterCopperDerivative (chemistry)Journal of Organometallic Chemistry
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Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]- Tectons, and Sustained by Coordinative, Hydrogen Bond a…

2004

The paper reports on four novel solid-state architectures constructed by using tectons having the general formula:  [Cr(AA)(C2O4)2]- [AA = 2,2‘-bipyridine (bipy) and 1,10-phenanthroline (phen)]. These building blocks are involved in various intermolecular interactions:  coordinative, hydrogen bonds, and π−π contacts. Two new crystallohydrates in the Ba[Cr(AA)(C2O4)2]2·nH2O family have been characterized:  [BaCr2(bipy)2(C2O4)4(H2O)2]·4H2O (1) and [BaCr2(phen)2(C2O4)4(H2O)2] (2). Because of the different numbers of water molecules, their crystal structures are completely different from those of two others previously reported, [BaCr2(bipy)2(C2O4)4(H2O)]·H2O and [BaCr2(phen)2(C2O4)4(H2O)2]·4H2O…

DenticityChemistryHydrogen bondPhenanthrolineStackingSupramolecular chemistryGeneral ChemistryCrystal structureCondensed Matter Physics22'-Bipyridinechemistry.chemical_compoundCrystallographyMoleculeGeneral Materials ScienceCrystal Growth & Design
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C—br insertion reactions in rhodium and iridium compounds containing an ortho-halo-arylphosphine. X-ray structures of two ortho-metallated compounds …

1988

Abstract A comparative study of the reaction of rh and ir complexes with the ortho-bromo-arylphosphine PCBr [PCBr = P(o-BrC6F4)(C6H5)2], is presented. Various PCBr complexes of Ir(I) and Rh(I) undergo rapid insertion of the metal atom into a CBr bond provided the phosphine is coordinated in a η2-mode (Pbr). If the Br coordination is substituted by a superior ligand such as CO or an olefin, no reaction occurs under normal conditions. PCBr complexes of the tervalent metals require a two-electron reduction step prior to the ortho-metallation reaction. Most intermediates were characterized by chemical and spectroscopic analysis. Two intermediates of general formula IrX2(η2-PC)(η-PCBr), [PC = …

chemistry.chemical_classificationStereochemistryLigandchemistry.chemical_elementCrystal structureRhodiumInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryMaterials ChemistryMoleculeIridiumPhysical and Theoretical ChemistryInorganic compoundPhosphineMonoclinic crystal systemPolyhedron
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4,2-Ribbon like ferromagnetic cyano-bridged FeIII2NiII chains: a magneto-structural study

2007

The low-spin iron(III) complex AsPh(4)[Fe(III)(bpy)(CN)(4)].CH(3)CN (1) [AsPh(4) = tetraphenylarsonium cation] and the heterobimetallic chains [{Fe(III)(L)(CN)(4)}(2)Ni(II)(H(2)O)(2)].4H(2)O with L = bpy (2) and phen (3) [bpy = 2,2'-bipyridine and phen = 1,10-phenanthroline] have been prepared and their structures determined by X-ray diffraction methods. The structure of 1 consists of mononuclear [Fe(bpy)(CN)(4)](-) anions, tetraphenylarsonium cations and acetonitrile molecules of crystallization. The iron(III) is hexacoordinated with two nitrogen atoms of the bidentate bpy and four carbon atoms of four terminal cyanide groups building a distorted octahedral surrounding around the metal ato…

DenticityStereochemistryHydrogen bondCyanideBridging ligandlaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryOctahedronlawMoleculeCrystallizationAcetonitrileDalton Transactions
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New conducting radical salts based upon Keggin-type polyoxometalates and perylene

2004

Three new radical salts, Per6[PMo12O40]·CH2Cl2 (1), Per6[PMo12O40]·CH3CN (2), and Per9(NBu4)4[SiW12O40]2 (3) (Per = perylene), have been synthesised and their electrical and magnetic properties characterised. These three salts are diamagnetic and they behave as semiconductors with room temperature conductivities of 69, 3.6 and 0.85 S cm−1. While salt 2 presents hole-type conduction and 3 exhibits electron-dominated electrical transport properties, salt 1 shows at 150 K an abrupt change in the thermal dependence of the electrical conductivity and the Seebeck coefficient suggesting a phase transition.

chemistry.chemical_classificationPhase transitionElectron mobilitySalt (chemistry)General ChemistryThermal conductionchemistry.chemical_compoundThermal conductivitychemistryElectrical resistivity and conductivitySeebeck coefficientMaterials ChemistryPhysical chemistryPeryleneJ. Mater. Chem.
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Synthesis and structure of a paramagnetic Mo3S4 incomplete cuboidal cluster with seven cluster skeletal electrons

2012

The electron precise incomplete cuboidal complex [Mo(3)S(4)(dppe)(3)Br(3)]Br (1a) with 6 cluster skeletal electrons (CSE) and its halogen-mixed analogue [Mo(3)S(4)(dppe)(3)(Br,Cl)(3)](Br,Cl) (1b) can be smoothly reduced to the paramagnetic [Mo(3)S(4)(dppe)(3)X(3)] clusters (2a, X = Br; 2b, X = Cl/Br) with 7 CSE by treatment with liquid Ga.

Inorganic ChemistryCrystallographyParamagnetismComputational chemistryChemistryCluster (physics)Electron
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Trinuclear Mo3S7 clusters coordinated to dithiolate or diselenolate ligands and their use in the preparation of magnetic single component molecular c…

2008

A general route for the preparation of a series of dianionic Mo3S7 cluster complexes bearing dithiolate or diselenolate ligands, namely, [Mo3S7L3](2-) (where L = tfd (bis(trifluoromethyl)-1,2-dithiolate) (4(2-)), bdt (1,2-benzenedithiolate) (5(2-)), dmid (1,3-dithia-2-one-4,5-dithiolate) (6(2-)), and dsit (1,3-dithia-2-thione-4,5-diselenolate) (7(2-))) is reported by direct reaction of [Mo3S7Br6](2-) and (n-Bu)2Sn(dithiolate). The redox properties, molecular structure, and electronic structure (BP86/VTZP) of the 4(2-) to 7(2-) clusters have also been investigated. The HOMO orbital in all complexes is delocalized over the ligand and the Mo3S7 cluster core. Ligand contributions to the HOMO ra…

Trifluoromethyl010405 organic chemistryStereochemistryLigand[CHIM.ORGA]Chemical Sciences/Organic chemistryElectronic structure010402 general chemistry01 natural sciencesRedox0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographyDelocalized electronAtomic orbitalchemistryCluster (physics)MoleculePhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUSInorganic chemistry
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Halogen bonding interactions with the [Mo3S7Cl6]2-cluster anion in the mixed valence salt [EDT-TTFI2]4[Mo3S7Cl6]oCH3CN

2008

Electrocrystallization of iodinated TTF molecules in presence of trinuclear [Mo3S7Cl6]2- cluster anions provides the first example of radical salts with halogen bonding interactions at the organic/inorganic interface

Valence (chemistry)Halogen bondChemistryInorganic chemistry02 engineering and technologyGeneral ChemistryQuímica010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCatalysis0104 chemical sciencesIonPolymer chemistryMaterials ChemistryMolecule0210 nano-technology
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Synthesis, molecular and electronic structures of a paramagnetic trimetallic cluster containing an unusual Mo3(μ3-Se)2(μ-Se)3 core

2014

Abstract The electron precise [Mo3(μ3-Se)(μ-Se)3(dppe)3Br3]+ incomplete cuboidal complex, with six cluster skeletal electrons (CSE), was converted into the paramagnetic bicapped [Mo3(μ3-Se)2(μ-Se)3(dppe)3]+ cluster (1+), with an unusual seven metal electron population, by treatment with elemental Ga. The cluster core consists of an almost equilateral Mo3 triangle (Mo–Mo distances are in the range 2.7583(7)–2.7748(7) A with an average value of 2.77(3) A), capped by two selenide ligands. The remaining selenium atoms bridge adjacent metal atoms, defining a virtually planar Mo3(μ-Se)3 unit, with the capping Se atoms positioned above and below this plane. The new complex possesses a doublet grou…

MolybdenumCrystal structureCrystal structurelaw.inventionInorganic ChemistrySeleniumchemistry.chemical_compoundCrystallographyDelocalized electronParamagnetismUnpaired electronchemistrylawSelenideMaterials ChemistryCluster (physics)Physical and Theoretical ChemistryElectron paramagnetic resonanceGround stateCluster compoundsESRPolyhedron
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Cationic Mn12 Single-Molecule Magnets and Their Polyoxometalate Hybrid Salts

2003

A carboxy-substituted alkylammonium salt, namely, (4-carboxybenzyl)tributylammonium hexafluorophosphate, ZHPF(6), was prepared and used as incoming carboxylate ligand in a ligand-exchange reaction with [Mn(12)O(12)(O(2)CCH(3))(16)(H(2)O)(4)] (1) to afford a new Mn(12) single-molecule magnet (SMM), [Mn(12)O(12)(Z)(16)(H(2)O)(4)][PF(6)](16) (2), bearing 16 cationic units appended in the periphery. This compound behaves as a single-molecule magnet, exhibiting an out-of-phase ac magnetic susceptibility chi' '(M) signal that shows a single maximum in the 3.1-5.4 K temperature range. The frequency dependence of the maximum follows an Arrhenius law, with an effective energy barrier for reorientati…

Arrhenius equationZeeman effectStereochemistryAtmospheric temperature rangeMagnetic susceptibilityInorganic ChemistryMagnetizationchemistry.chemical_compoundCrystallographysymbols.namesakechemistryHexafluorophosphatesymbolsCarboxylatePhysical and Theoretical ChemistryGround stateInorganic Chemistry
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Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)

2007

Chemical modification of the trinuclear [Mo3(μ3-S)(μ2-S2)3Br6]2− cluster, at either the outer bromine or the disulfide ligands, allows the facile preparation of the dianions [Mo3(μ3-S)(μ2-S2)3(tdas)3]2− ([1]2−) (tdas = 1,2,5-thiadiazole-3,4-dithiol), [Mo3(μ3-S)(μ2-SSe)3Br6]2− ([2]2−) and [Mo3(μ3-S)(μ2-S2)3Cl6]2− ([3]2−). Electrocrystallization of bis(ethylenedithio)tetrathiafulvalene (ET) in the presence of these dianions affords a series of charge transfer salts, namely (ETA)(ETB)[1], (ETA)(n-Bu4N)[2], (ETA)(ETB)[3]2·CH3CN, and ((ETA)(ETB)(ETC)(ETD))2{[3]2Cl}·CH3CN, where the ET subscripts denote crystallographically independent molecules. In all cases, the various cluster–cluster, cluster…

Valence (chemistry)ChemistryLigandStereochemistryDithiolGeneral ChemistryCrystal structureMetalchemistry.chemical_compoundCrystallographyOxidation statevisual_artMaterials Chemistryvisual_art.visual_art_mediumMoleculeTetrathiafulvaleneJournal of Materials Chemistry
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Interaction of half-sandwich alkylmolybdenum(III) complexes with B(C6F5)3. The X-ray structure of [CpMo(η4-C4H6)(μ-Cl)(μ-CH2)(O)MoCp][CH3B(C6F5)3]

2001

Abstract The reactions of the half-sandwich molybdenum(III) complexes CpMo(η 4 -C 4 H 4 R 2 )(CH 3 ) 2 , where Cpη 5 -C 5 H 5 and RH or CH 3 , with equimolar amounts of B(C 6 F 5 ) 3 have been investigated in toluene. EPR monitoring shows the formation of an addition product which does not readily react with Lewis bases such as ethylene, pyridine, or PMe 3 . The analysis of the EPR properties and the X-ray structure of a decomposition product obtained from dichloromethane, [CpMo(η 4 -C 4 H 6 )(μ-Cl)(μ-CH 2 )(O)MoCp][CH 3 B(C 6 F 5 ) 3 ], indicate that the borane attack has occurred at the methyl position.

EthyleneStereochemistrychemistry.chemical_elementBorane010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistrylaw.inventionInorganic Chemistrychemistry.chemical_compoundlawPyridineMaterials Chemistry[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM.COOR]Chemical Sciences/Coordination chemistryLewis acids and basesPhysical and Theoretical ChemistryElectron paramagnetic resonanceDichloromethaneMolybdenumEPR properties010405 organic chemistryOrganic ChemistryTolueneButadiene ligand0104 chemical sciences3. Good healthchemistryHalf-sandwichMolybdenumX-ray structure
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Toward multifunctional single-molecule magnets: characterization of dodecanuclear manganese complexes by electrospray ionization mass spectrometry.

2001

Single-molecule magnets (SMM) based on the dodecanuclear manganese complexes Mn12O12(RCOO)16 can be readily characterized by electrospray ionization mass spectrometry. This facilitates the synthesis of complex multifunctional molecules that have potential use in the organization of SMM into films or surfaces.

Inorganic ChemistrychemistryElectrospray ionizationMagnetInorganic chemistryAnalytical chemistrychemistry.chemical_elementMoleculeManganesePhysical and Theoretical ChemistryCharacterization (materials science)Inorganic chemistry
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High yield synthesis of trinuclear [M3S4X3(diphos)3]+ (M=Mo, W; X=Cl, Br and diphos=dmpe, dppe) molecular clusters from solid state materials. Synthe…

2001

The excision of polymeric {M 3 S 7 X 4 } x (M=Mo, W; X=Cl, Br) cluster phases with diphosphines (dmpe, dppe) in acetonitrile affords a one step general synthetic route for the preparation of trinuclear molecular clusters with formula [M 3 S 4 X 3 (diphos) 3 ] + (M=Mo, W; X=Cl, Br and diphos=dmpe, dppe) in high yields. Following this strategy, the cluster cations [Mo 3 S 4 Br 3 (dmpe) 3 ] + and [W 3 S 4 Br 3 (dppe) 3 ] + have been prepared for the first time. This last tungsten cluster has proved to be a useful synthon for the synthesis of the hydride derivative [W 3 S 4 H 3 (dppe) 3 ] + in moderate yields. The crystal structure of [W 3 S 4 H 3 (dppe) 3 ](BPh 4 ) consists of a equilateral tu…

ChemistryHydrideSynthonchemistry.chemical_elementCrystal structureTungstenInorganic ChemistryMetalCrystallographychemistry.chemical_compoundvisual_artDiphosphinesMaterials Chemistryvisual_art.visual_art_mediumCluster (physics)Physical and Theoretical ChemistryAcetonitrilePolyhedron
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Synthesis, molecular and electronic structure of an incomplete cuboidal Re 3S 4 cluster with an unusual quadruplet ground state

2012

3 pags, 3 figs, 1 tab

ChemistryMetals and AlloysGeneral ChemistryElectronic structureElectronCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCuboidal Re3S4 clusterCrystallographyMaterials ChemistryCeramics and CompositesCluster (physics)Ground stateChemical Communications 48: 2713-2715 (2012)
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Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster

2005

A new family of bis(ethylenedithio)tetrathiafulvalene (ET) radical salts has been prepared in the presence of a triangular molybdenum sulfide cluster of formula [Mo 3 S 7 Br 6 ] 2 - , which contains highly electrophilic axialsulfur atoms. A systematic change in the experimental conditions yields five different salts, namely (ETA)2(ET B )[Mo 3 S 7 Br 6 ] 2 . CH 2 Br 2 (1), (ETA)(ET B )Mo 3 S 7 Br 6 ].1.1CH 2 Br 2 (2), (ETA)(ETB)(ET C ){[Mo 3 S 7 Br 6 ]Br}.0.5C 2 H 4 Cl 2 (3), (ET)((n-Bu 4 )N)-[Mo 3 S 7 Br 6 ] (4), and (ET)(Ph4P)[Mo 3 S 7 Br 6 ].0.5CH 3 CN (5), where the ET subscript denotes crystallographically independent molecules. The five compounds have been structurally characterized, a…

ChemistryStereochemistryCrystal structureTriclinic crystal systemSpectral lineInorganic ChemistryCrystallographysymbols.namesakechemistry.chemical_compoundElectrophilesymbolsMoleculePhysical and Theoretical ChemistryRaman spectroscopyStoichiometryTetrathiafulvaleneInorganic Chemistry
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Mo 3 Q 7 (Q = S, Se) Clusters Containing Dithiolate/Diselenolate Ligands: Synthesis, Structures, and Their Use as Precursors of Magnetic Single‐Compo…

2013

The coordination chemistry of dithiolene and diselenolene ligands towards the all-selenium [Mo3Se7Br6]2– dianion has been investigated. Complexes (nBu4N)2[Zn(dmit)2] (dmit = 1,3-dithia-2-thioxo-4,5-dithiolate) and (nBu4N)2[Zn(dsit)2] (dsit = 1,3-dithia-2-thioxo-4,5-diselenolate) were employed as ligand precursors. The (nBu4N)2[Zn(dmit)2] complex in acetonitrile at reflux showed unexpected reactivity with [Mo3Se7Br6]2– dianion in which the inner Se atoms were replaced by S (all but the μ3-Se atom) to afford a series of mixed chalcogen [Mo3Se7–xSx(dmit)3]2– (x = 0–6) dianions. Reaction of the [Mo3S4Se3Br6]2– dianion with (nBu4N)2[Zn(dmit)2] under similar conditions also produced a mixed dmit-…

Molybdenumchemistry.chemical_classificationLigandInorganic chemistryCrystal structureCoordination complexConducting materialsInorganic ChemistrySeleniumchemistry.chemical_compoundCrystallographyChalcogenchemistryMagnetic propertiesCluster (physics)ChalcogensAntiferromagnetismReactivity (chemistry)AcetonitrileCluster compoundsEuropean Journal of Inorganic Chemistry
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Synthesis and structure of the incomplete cuboidal clusters [W3Se4H3(dmpe)3]+, [W3Se4H3−x(OH)x(dmpe)3]+and [W3Se4(OH)3(dmpe)3]+, and the mechanism of…

2004

The novel incomplete cuboidal cluster [W3Se4H3(dmpe)3](PF6), [1](PF6), has been prepared by reduction of [W3Se4Br3(dmpe)3](PF6) with LiBH4 in THF solution. The trihydroxo complex [W3Se4(OH)3(dmpe)3](PF6), [2](PF6), was obtained by reacting [W3Se4Br3(dmpe)3](PF6) with NaOH in MeCN–H2O solution. The complexes [1](PF6) and [2](PF6) were converted to their BPh4− salts by treatment with NaBPh4. Recrystallisation of [1](BPh4) in the presence of traces of water affords the mixed dihydride hydroxo complex [W3Se4H2(OH)(dmpe)3](BPh4). The crystal structures of [1](BPh4), [2](BPh4) and [W3Se4H2(OH)(dmpe)3](BPh4) have been resolved. Although the [1]+ trihydride does not react with an excess of halide s…

Inorganic ChemistryCrystallographyReaction rate constantChemistryKineticsCluster (physics)HalideSingle stepCrystal structureFirst orderIonDalton Trans.
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Design of single cyanide-bridged tetranuclear bimetallic rectangles exhibiting ferromagnetic coupling

2005

Abstract The cyanide-bridged tetranuclear bimetallic rectangles ( XPh 4 ) 4 [ Fe 2 III Cu 2 II ( μ - CN ) 4 ( CN ) 8 ( L ) 2 ] · n H 2 O [X = P (1) and As (2); L = bpcam (1) and bpca (2); n = 4 (1) and 0 (2)] have been prepared and their crystal structures were characterized by single crystal X-ray diffraction; 1 exhibits intramolecular ferromagnetic interactions (J1 = +3.7 cm−1 and J2 = +7.0 cm−1, H = - J 1 [ S Fe ( 1 ) · S Cu ( 1 ) + S Fe ( 1 a ) · S Cu ( 1 a ) ] − J 2 [ S Fe ( 1 ) · S Cu ( 1 a ) + S Fe ( 1 a ) · S Cu ( 1 ) ] + D [ S Fe ( 1 ) z 2 + S Fe ( 1 a ) z 2 ] ) leading to a low-lying S = 2 spin state.

Materials scienceSpin statesCyanideCrystal structureCoupling (probability)Inorganic ChemistryCrystallographychemistry.chemical_compoundFerromagnetismchemistryIntramolecular forceMaterials ChemistryPhysical and Theoretical ChemistrySingle crystalBimetallic stripInorganic Chemistry Communications
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Unprecedented Stereoselective Synthesis of Catalytically Active Chiral Mo3CuS4 Clusters

2005

Cluster excision of polymeric {Mo3S7Cl4}n phases with chiral phosphane (+)-1,2-bis[(2R,5R)-2,5-(dimethylphospholan-1-yl)]ethane ((R,R)-Me-BPE) or with its enantiomer ((S,S)-Me-BPE) yields the stereoselective formation of the trinuclear cluster complexes [Mo3S4{(R,R)-Me-BPE}3Cl3]+ ([(P)-1]+) and [Mo3S4{(S,S)-Me-BPE}3Cl3]+ ([(M)-1]+), respectively. These complexes possess an incomplete cuboidal structure with the metal atoms defining an equilateral triangle and one capping and three bridging sulfur atoms. The P and M symbols refer to the rotation of the chlorine atoms around the C3 axis, with the capping sulphur atom pointing towards the viewer. Incorporation of copper into these trinuclear c…

CyclopropanationStereochemistryOrganic ChemistryEnantioselective synthesisGeneral ChemistryMedicinal chemistryCatalysischemistry.chemical_compoundEthyl diazoacetatechemistryIntramolecular forceCluster (physics)DiphosphaneEnantiomerChirality (chemistry)Chemistry - A European Journal
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CCDC 982799: Experimental Crystal Structure Determination

2014

Related Article: Pavel A. Petrov, Maxim R. Ryzhikov, Alexander V. Virovets, Sergey N. Konchenko, Carlos J. Gomez-Garcia, Rosa Llusar|2014|Polyhedron|81|6|doi:10.1016/j.poly.2014.05.038

Space GroupCrystallographybis(mu~3~-selenido)-tris(mu~2~-selenido)-tris(ethane-12-diylbis(diphenylphosphine))-tri-molybdenum tetrabromo-gallium tetrahydrofuran solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1542006: Experimental Crystal Structure Determination

2017

Related Article: Pavel A. Petrov, Dmitry Yu. Naumov, Taisiya S. Sukhikh, Sergey N. Konchenko, Carlos J. Gómez-García, Rosa Llusar|2017|New J.Chem.|41|7849|doi:10.1039/C7NJ01217A

tetrakis(mu-sulfido)-tetrabromo-tris(12-bis(diphenylphosphino)ethane)-gallium-tri-molybdenum tetrahydrofuran solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 905329: Experimental Crystal Structure Determination

2013

Related Article: Artem L. Gushchin, Rosa Llusar, Cristian Vicent, Pavel A. Abramov, Carlos J. Gómez-Garcia|2013|Eur.J.Inorg.Chem.||2615|doi:10.1002/ejic.201201532

Space GroupCrystallographyCrystal SystemCrystal Structurebis(Tetra-n-butylammonium) (mu~3~-selenido)-bis(mu~2~-diselenolato)-(mu~2~-selanidethiolato)-tris(2-thioxo-13-dithiole-45-dithiolato)-tri-molybdenumCell ParametersExperimental 3D Coordinates
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CCDC 1542007: Experimental Crystal Structure Determination

2017

Related Article: Pavel A. Petrov, Dmitry Yu. Naumov, Taisiya S. Sukhikh, Sergey N. Konchenko, Carlos J. Gómez-García, Rosa Llusar|2017|New J.Chem.|41|7849|doi:10.1039/C7NJ01217A

Space GroupCrystallographyCrystal SystemCrystal Structuretetrakis(mu-sulfido)-tetrabromo-tris(12-bis(dimethylphosphino)ethane)-gallium-tri-molybdenum tetrahydrofuran solvateCell ParametersExperimental 3D Coordinates
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