Search results for "CRYSTALLOGRAPHY"

showing 10 items of 18525 documents

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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Chiral and Racemic Spin Crossover Polymorphs in a Family of Mononuclear Iron(II) Compounds

2017

[EN] Understanding the origin of cooperativity and the equilibrium temperature of transition (T1/2) displayed by the spin-crossover (SCO) compounds as well as controlling these parameters are of paramount importance for future applications. For this task, the occurrence of polymorphism, presented by a number of SCO complexes, may provide deep insight into the influence of the supramolecular organization on the SCO behavior. In this context, herein we present a novel family of mononuclear octahedral FeII complexes with formula cis- [Fe(bqen)(NCX)2], where bqen is the chelating tetradentate ligand N,N¿-bis(8-quinolyl)ethane-1,2-diamine and X = S, Se. Depending on the preparation method, these…

010405 organic chemistryChemistryStereochemistrySupramolecular chemistryCooperativity010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographyOctahedronPolymorphism (materials science)Spin crossoverFISICA APLICADARacemic mixtureOrthorhombic crystal systemPhysical and Theoretical ChemistryEnantiomerInorganic Chemistry
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Electron-Sponge Behavior, Reactivity and Electronic Structures of Cobalt-Centered Cubic Co9Te6(CO)8 Clusters

2008

Extended investigations of the reaction sequence [Cp′2Nb(Te2)H]/CH3Li/[Co2(CO)8] (Cp′ = tBuC5H4) led to the identification of Lin[3] {3 = [Co9Te6(CO)8]; n = 1, 2} salts through their transformation with [PPN]Cl into [PPN]n[3] (PPN = Ph3PNPPh3). These compounds form in the solid state columnar ([PPN][3]) or undulated 2D ([PPN]2[3]) supramolecular networks. Electrochemical studies of [Cp*2Nb(CO)2][3] (Cp* = C5Me5) or [Na(THF)6][3] revealed the presence of the redox couples [3]–/[3]2–/[3]3–/[3]4–/[3]5– regardless of the nature of the cation, whereas in the anodic part oxidative degradation of the cluster takes place. This behavior is in agreement with the observation that [3]– containing salts…

010405 organic chemistryChemistryStereochemistrySupramolecular chemistrychemistry.chemical_element[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryElectronic structure[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryElectrochemistryelectronic structure01 natural sciencesRedoxcobalt3. Good health0104 chemical sciencesInorganic ChemistryCrystallographyelectrochemistrytelluriumCluster (physics)Reactivity (chemistry)Ground stateclusterCobalt
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A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover

2011

International audience; The insertion of a [Fe(sal2-trien)]+ complex cation into a 2D oxalate network results in a hybrid magnet with coexistence of magnetic ordering and photoinduced spin-crossover (LIESST effect) in compound [FeIII(sal2-trien)][MnIICrIII(ox)3]*(CH2Cl2) (1). A complete photomagnetic characterization together with a detailed structural analysis of the low-spin (LS) and high-spin (HS) structures of 1 is presented in order to understand such unusual behavior. This very rare and unexpected property in a FeIII spin-crossover complex, has been attributed to the strong distortion exhibited by the metastable HS state. Furthermore, 1 has shown that, in contrast to what has been pre…

010405 organic chemistryChemistryStereochemistry[CHIM.MATE]Chemical Sciences/Material chemistryGeneral Chemistry010402 general chemistry01 natural sciencesLIESSTOxalate0104 chemical scienceschemistry.chemical_compoundCrystallographyFerromagnetismSpin crossoverMetastabilityMagnetSpin (physics)Chemical Science
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Aza and cyanobridged tripodal dinuclear copper(II) complexes: Electrochemical studies and structural evidence for an original azacyanocarbanion

2014

International audience; The reactivity of the mononuclear [Cu(TMPA)(L)] n+ complex (TMPA: tris(2-methylpyridine) amine, L: CH3CN, H2O) towards two different bridging species (tetracyanoethylene, 4,40-bipyridine) was investigated. The dinuclear complex [(mu-4,40-bipy)Cu-II(TMPA)(2)](CF3SO3)(4) (1) was synthesised and analysed by Xray diffraction (XRD). Magnetic studies revealed that this derivative displays very weak antiferromagnetic interactions between the two metal centres (2J = -0.69 cm(-1)). Solution studies (EPR spectroscopy and voltammetry) evidenced the lability of the bridged neutral bipyridine ligand in acetonitrile. The reaction of TCNE (TCNE: tetracyanoethylene) with the copper(…

010405 organic chemistryChemistryStereochemistrychemistry.chemical_elementCrystal structureTetracyanoethylene010402 general chemistryElectrochemistry01 natural sciencesCopper0104 chemical scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographyBipyridinelaw[CHIM.ANAL]Chemical Sciences/Analytical chemistryMaterials ChemistryAmine gas treating[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryElectron paramagnetic resonanceAcetonitrile
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Synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4·dmso·H2O, [Co(bpcam)2]2[Co(NCS)4]·dmso·H2O and [Ni(bpcam)2]·H2O [Hbpcam = bi…

2017

The preparation, spectroscopic characterization, structural study and magnetic investigation of three new complexes of formula [Co(bpcam)2]ClO4·dmso·H2O (1), [Co(bpcam)2]2[Co(NCS)4]·dmso·H2O (2) and [Ni(bpcam)2]·H2O (3) [Hbpcam = bis(2-pyrimidylcarbonyl)amide] are reported. Each bpcam group in 1–3 acts as a tridentate ligand being coordinated to the cobalt(III) (1 and 2)/nickel(II) (3) ions through three nitrogen atoms in a mer-arrangement. Six-coordinate cobalt(III) and nickel(II) occur in 1 and 3 respectively, whereas six-coordinate cobalt(III) and four-coordinate cobalt(II) coexist in 2. Cyclic voltammetry of 1 in acetonitrile shows the occurrence of one quasi reversible CoIII ↔ CoII pro…

010405 organic chemistryChemistryStereochemistrychemistry.chemical_elementGeneral ChemistryCrystal structureAtmospheric temperature range010402 general chemistry01 natural sciencesMagnetic susceptibilityCatalysis0104 chemical sciencesNickelCrystallographychemistry.chemical_compoundAmideMaterials ChemistryCyclic voltammetryAcetonitrileCobaltNew Journal of Chemistry
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Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes

2018

Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copper(II) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…

010405 organic chemistryChemistrySubstituentchemistry.chemical_elementGeneral Chemistrykompleksiyhdisteet010402 general chemistryCondensed Matter Physics01 natural sciencesChlorideCopperchemical bonds0104 chemical scienceschemistry.chemical_compoundCrystallographykemialliset sidoksetHalogenmedicineCopper(II) chlorideGeneral Materials Sciencecoordination complexesPolarization (electrochemistry)Single crystalta116medicine.drugCrystEngComm
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The C–I···–O–N+ Halogen Bonds with Tetraiodoethylene and Aromatic N-Oxides

2020

The nature of C–I⋯⁻O–N⁺ interactions, first of its kind, between non-fluorinated tetraiodoethylene XB-donor and pyridine N-oxides (PyNO) are studied by single-crystal X-ray diffraction (SCXRD) and ...

010405 organic chemistryChemistryTetraiodoethyleneGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciences3. Good healthCrystallographychemistry.chemical_compoundHalogenPyridineGeneral Materials ScienceCrystal Growth & Design
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Two-Photon Absorption Properties and Structures of BODIPY and Its Dyad, Triad and Tetrad.

2018

A series consisting of a dyad, a triad and a tetrad containing either two, three and four BODIPY units, respectively, has been synthesized and fully characterized and compared to two mono-BODIPY analogs (used as references). The one- and two-photon photophysical properties have been measured and the X-ray structures of four of the BODIPY derivatives have been determined. In the 700-900 nm range, the two-photon absorption (TPA) cross sections range from 30 GM to 160 GM for these compounds.

010405 organic chemistryChemistryTriad (anatomy)General Chemistry010402 general chemistry01 natural sciencesTwo-photon absorption0104 chemical scienceschemistry.chemical_compoundCrystallographymedicine.anatomical_structuremedicineBODIPYAbsorption (chemistry)TetradChemPlusChem
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Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density

2016

The symmetry around a Dy ion is recognized to be a crucial parameter dictating magnetization relaxation dynamics. We prepared two similar square-antiprismatic complexes, [Dy(LOMe)2(H2O)2](PF6) (1) and Dy(LOMe)2(NO3) (2), where LOMe = [CpCo{P(O)(O(CH3))2}3], including either two neutral water molecules (1) or an anionic nitrate ligand (2). We demonstrated that in this case relaxation dynamics is dramatically affected by the introduction of a charged ligand, stabilizing the easy axis of magnetization along the nitrate direction. We also showed that the application of either a direct-current field or chemical dilution effectively stops quantum tunneling in the ground state of 2, thereby increa…

010405 organic chemistryChemistryUNESCO::QUÍMICARelaxation (NMR)Charge densitychemistry.chemical_element010402 general chemistry:QUÍMICA [UNESCO]01 natural sciences0104 chemical sciencesIonInorganic ChemistryCrystallographyMagnetic anisotropyMagnetizationNuclear magnetic resonanceDysprosiumMoleculePhysical and Theoretical ChemistryGround state
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