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showing 10 items of 55700 documents

Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity propert…

2017

A series of zinc(II), cobalt(II) and manganese(II) coordination networks with phosphoserine ligand (H3PSer) are synthesized and characterized. Whereas in compounds 1 and 2 with the general formula [M(HPser)]n [M = Zn (1) and Co (2)], the metal(II) ion presents a tetrahedral geometry, in [Co(HPSer)(H2O)2]n (3) and [Mn(HPSer)(H2O)]n (4), the metal(II) ions are in a distorted octahedral geometry. The 3D frameworks are formed by inorganic layers built up from MO4 or MO6 polyhedra and phosphate groups. These layers are linked by the carboxylate groups of the phosphoserine ligand. The presence of extended hydrogen bonding stabilizes the 3D network and favours the proton transfer leading to modera…

010405 organic chemistryLigandInorganic chemistrychemistry.chemical_elementTetrahedral molecular geometryZincManganese010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundCrystallographychemistryvisual_artOctahedral molecular geometryvisual_art.visual_art_mediumCarboxylateCobaltDalton Transactions
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Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Me…

2020

Metal–ligand coordination interactions are usually much stronger than weak intermolecular interactions. Nevertheless, here, we show experimental evidence and theoretical confirmation of a very rare...

010405 organic chemistryLigandIntermolecular forceHexacyanoferrate IITrimerBond breaking010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundCrystallographyMonomerchemistryvisual_artvisual_art.visual_art_mediumPhysical and Theoretical ChemistryInorganic Chemistry
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Hexanuclear manganese(III) single-molecule magnets based on oxime and azole-type ligands

2019

Abstract Two novel hexanuclear manganese(III) complexes belonging to the Mn6 family of single-molecule magnets (SMMs), of formulae [Mn6(μ3-O)2(H2N-sao)6(bta)2(EtOH)6]·2EtOH·4H2O (1) and [Mn6(μ3-O)2(H2N-sao)6(pta)2(EtOH)6]·4EtOH (2) [H2N-saoH2 = salicylamidoxime, bta = 1,2,3-benzotriazolate anion, pta = 5-phenyl-tetrazolate anion], have been synthesized and characterized structurally and magnetically. Both compounds crystallize in the triclinic system with space group P 1 ¯ (1 and 2). In their crystal packing, adjacent Mn6 complexes are connected through non-coordinating solvent molecules, which are H-bonded to N atoms of azole rings and –NH2 groups of salicylamidoxime ligand. The study of t…

010405 organic chemistryLigandMetal ions in aqueous solutionRelaxation (NMR)chemistry.chemical_elementManganeseTriclinic crystal system010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesInorganic ChemistryCrystallographyMagnetizationchemistryMaterials ChemistryMoleculePhysical and Theoretical ChemistryPolyhedron
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Higher MLCT lifetime of carbene iron(ii) complexes by chelate ring expansion

2021

Combining strong σ-donating N-heterocyclic carbene ligands and π-accepting pyridine ligands with a high octahedricity in rigid iron(ii) complexes increases the 3MLCT lifetime from 0.15 ps in the prototypical [Fe(tpy)2]2+ complex to 9.2 ps in [Fe(dpmi)2]2+12+. The tripodal CNN ligand dpmi (di(pyridine-2-yl)(3-methylimidazol-2-yl)methane) forms six-membered chelate rings with the iron(ii) centre leading to close to 90° bite angles and enhanced iron-ligand orbital overlap.

010405 organic chemistryLigandMetals and AlloysGeneral ChemistryOrbital overlap010402 general chemistryRing (chemistry)01 natural sciencesCatalysisPyridine ligand0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographychemistryMaterials ChemistryCeramics and CompositesChelationCarbeneChemical Communications
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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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Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets

2009

We describe the synthesis, structure and magnetic characterization of several oxalate-based bimetallic 1D systems. We will exemplify how by suitable choice of the molecular building blocks and strict control of their arrangement in the solid state, the magnetic properties of these low-dimensional materials can be tuned to finally obtain bimetallic oxalate chains behaving as single-chain magnets (SCM). First, we will focus on compounds [K(18-crown-6)][MII(bpy)Cr(ox)3] (1, 2; MII = Mn, Co; bpy = C10N2H8). The MnCr derivative behaves as a 1D ferromagnet down to 2 K, the lowest investigated temperature. The lack of magnetic ordering in this chain prompted us to prepare the more anisotropic MnCo…

010405 organic chemistryLigandRelaxation (NMR)Supramolecular chemistryGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciencesOxalate0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryFerromagnetismMagnetGeneral Materials ScienceBimetallic stripDerivative (chemistry)CrystEngComm
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Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.

2016

Using the multifunctional ligand H4L (2,2'-bipyridinyl-5,5'-diphosphonic acid), a new family of inorganic-organic hybrid-materials was prepared. The ligand shows a very high flexibility regarding the coordination mode, leading to a large structural diversity. The compounds 1a, 1b ([M(H2L)(H2O)4]·2.5H2O; M = Co(2+) (a), Ni(2+) (b)), 2 ([Gd2(H2H'L)2(H2H'2L)(H2O)6]Cl4·14H2O), 3a, 3b, 3c ([MCo(iii)(H2L)3(H2O)2]·6.5H2O; M = Gd(3+) (a), Dy(3+) (b) and Tb(3+) (c)), and 4 ([GdNi(ii)(H2L)3(H2O)3]NaCl·6H2O) were isolated and characterized with single crystal X-ray diffraction. Depending on the used metal ions and on the stoichiometry, either discrete entities (0D), extended 2D layers or 3D frameworks…

010405 organic chemistryLigandStereochemistryMetal ions in aqueous solution010402 general chemistry01 natural sciencesPhosphonate0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMulti dimensionalHydrothermal synthesisHybrid materialSingle crystalStoichiometryDalton transactions (Cambridge, England : 2003)
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Photomagnetic properties of an Fe(ii) spin-crossover complex of 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine and its insertion into 2D and 3D bime…

2017

International audience; The Fe(ii) complex of the L1 ligand (L1 = 6-(3,5-diamino-2,4,6-triazinyl)-2,2'-bipyridine) has been used as a templating cation for the growth of oxalate-based networks. The magnetic characterization of the [Fe(II)(L1)2](ClO4)2·CH3CN (1) precursor in the solid state has been performed for the first time showing that the low-spin (LS) state is predominating from 2 to 400 K with 10% of Fe(ii), which undergoes a gradual and irreversible spin-crossover above 350 K. 1 presents the LIESST effect with a photo-conversion close to 25% and a T(LIESST) of 49 K. During the preparation of 1, a secondary product of the formula [Fe(II)(L1)(CH3CN)2(H2O)](ClO4)2·CH3CN (2) has been ob…

010405 organic chemistryLigandStereochemistrySolid-state[CHIM.MATE]Chemical Sciences/Material chemistry010402 general chemistry01 natural sciencesOxalateLIESST22'-Bipyridine0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistrySpin crossoverBimetallic strip
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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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Solvent effects on the dimensionality of oxamato-bridged manganese(II) compounds

2018

Two new oxamate-containing manganese(II) complexes, [{Mn(H2edpba)(H2O)2}2]n (1) and [Mn(H2edpba)(dmso)2]∙dmso∙CH3COCH3∙H2O (2) (H4edpba = N,N′-ethylenediphenylenebis(oxamic acid) and dmso = dimethylsulfoxide), have been synthesized and the structures of 1 and 2 were characterized by single crystal X-ray diffraction. The structure of 1 consists of neutral honeycomb networks in which each manganese(II) is six-coordinate by one H2edpba2− ligand and two carboxylate–oxygens from two other H2edpba2− ligands building the equatorial plane. Each manganese is connected to its nearest neighbor through two carboxylate(monoprotonated oxamate) bridges in an anti-syn conformation. A dmso solution of singl…

010405 organic chemistryLigandSupramolecular chemistrychemistry.chemical_elementManganese010402 general chemistry01 natural sciences0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryX-ray crystallographyMaterials ChemistryMoleculeCarboxylatePhysical and Theoretical ChemistrySolvent effectsSingle crystal
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