Search results for "molecular-structure"

showing 8 items of 8 documents

[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
researchProduct

X-ray crystal structures of copper(II) and cobalt(II) complexes with Schiff base ligands. Reactivity towards dioxygen

2003

Copper(II) and cobalt(II) Schiff base complexes with derivatives of the pentadentate ligand bis(salicylideneimino-3-propyl)amine [H2salDPT] have been prepared. The X-ray crystal structures of the copper(II) complexes Cu[salDPT] and Cu[sal(n-propyltrimethylsilyl)DPT] were determined and revealed five-coordination at the metal centre in both cases. The 1 ∶ 1 dioxygen adduct of Co[sal(n-propyltrimethylsilyl)DPT] was also isolated and its X-ray molecular structure determined.

Schiff base010405 organic chemistryLigandInorganic chemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesCopper3. Good health0104 chemical sciencesAdductInorganic ChemistryMetalchemistry.chemical_compoundchemistryvisual_artPolymer chemistryvisual_art.visual_art_medium[CHIM.CRIS]Chemical Sciences/Cristallography[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Reactivity (chemistry)CobaltMOLECULAR-STRUCTURE
researchProduct

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
researchProduct

Insertion Reactions of Neutral Phosphidozirconocene Complexes as a Convenient Entry into Frustrated Lewis Pair Territory

2016

International audience; Neutral phosphidozirconocene complexes [Cp2Zr(PR2)Me] (Cp=cyclopentadienyl; 1a: R=cyclohexyl (Cy); 1b: R=mesityl (Mes); 1c: R=tBu) undergo insertion into the Zr-P bond by non-enolisable carbonyl building blocks (O=CRR), such as benzophenone, aldehydes, paraformaldehyde or CO2, to give [Cp2Zr(OCRRPR2)Me] (3-7). Depending on the steric bulk around P, complexes 3-7 react with B(C6F5)(3) to give O-bridged cationic zirconocene dimers that display typical frustrated Lewis pair (FLP)/ambiphilic ligand behaviour. Thus, the reaction of {[Cp2Zr(-OCHPhPCy2)][MeB(C6F5)(3)]}(2) (10a) with chalcone results in 1,4 addition of the Zr+/P FLP, whereas the reaction of {[Cp2Zr(-OCHFcPCy…

Steric effectsChalconeStereochemistryzirconiumc-h activation010402 general chemistry01 natural sciencesMedicinal chemistry[ CHIM ] Chemical SciencesCatalysisFrustrated Lewis pairinsertionchemistry.chemical_compoundCyclopentadienyl complexx-ray structuresphosphinidene complexesBenzophenone[CHIM]Chemical SciencesParaformaldehydezr-p bondzirconocene-phosphido complexesmolecular-structure010405 organic chemistryLigandphosphidesOrganic ChemistryCationic polymerizationcrystal-structureGeneral Chemistry0104 chemical sciencesfunctionalized ligandsbis(trimethylsilyl)phosphido complexeschemistryfrustrated Lewis pairsphosphinoaryloxide complexesambiphilic ligands
researchProduct

Copper(I) Complexes of Bis(2-(diphenylphosphino)phenyl) Ether:  Synthesis, Reactivity, and Theoretical Calculations

2007

The tricoordinated cationic Cu-I complex [Cu(kappa(2)-P,P'-DPEphos)(kappa(1)-P-DPEphos)][BF4] (1) (DPEphos = bis(2-(diphenylphosphino)phenyl) ether) containing a dangling phosphorus center was synthesized from the reaction of [Cu(CH3CN)(4)][BF4] with DPEphos in a 1:2 molar ratio in dichloromethane. When complex 1 is treated with MnO2, elemental sulfur, or selenium, the uncoordinated phosphorus atom undergoes oxidation to form a PE bond resulting in the formation of complexes of the type [Cu(kappa(2)-P,P'-DPEphos)(kappa(2)-P,E-DPEphos-E)][BF4] (2, E = O; 3, E = S; 4, E = Se) containing a Cu-E bond. The zigzag polymeric Cu-I complex [Cu(kappa(2)-P,P'-DPEphos)(mu-4,4'-bpy)](n)[BF4](n) (5) was …

Inorganic chemistryCu-I ComplexesBite AngleEtherEmitting Electrochemical-CellsBite angleMedicinal chemistryTransition-Metal ChemistryInorganic Chemistrychemistry.chemical_compounddifenyylifosfinoMoleculeReactivity (chemistry)Staudinger reactionPhysical and Theoretical ChemistryMonooxidized Bis(Phosphino)AminesMolecular-StructureStructural-CharacterizationDichloromethaneChemistryCationic polymerizationPlatinum(Ii) Complexeskupari(I) kompleksitWilliamson ether synthesisState Methodcopper(I) complexStaudinger ReactiondiphenylphosphinoInorganic Chemistry
researchProduct

Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self…

2017

International audience; The synthesis and structural characterization, both in solution by means of H-1 and P-31 NMR and UV-vis spectroscopies and in the solid state by X-ray diffraction on single crystal, of a series of gallium(III) and indium(III) meso-mono(diethoxyphosphoryl)porphyrins bearing different peripheral substituents as well as the corresponding monoesters and phosphonic acids are reported. This work describes the first example of the X-ray structure of a self-assembled dimer formed via strong binding between the oxygen atom of the phosphonate substituent and the gallium(III) cations of adjacent porphyrin molecules [Ga-O = 1.9708(13) angstrom].

coordinationchlorideDimerSubstituentchemistry.chemical_elementmalaria pigment[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryPhotochemistry01 natural sciencessupramolecular chemistryInorganic Chemistrychemistry.chemical_compoundoctaethylporphyrinMoleculecleavagePhysical and Theoretical ChemistryGalliumsoluble diamagnetic modelmolecular-structure010405 organic chemistrycrystal-structure[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryPhosphonatePorphyrin0104 chemical sciencesCrystallographychemistryoxidesSingle crystalIndium
researchProduct

NaI/CuI–II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links: synthesis, structural, magnetostructural correlati…

2009

A new Na(I)/Cu(I-II) heterometallic coordination complex [Cu(2)L(2)Na(NCO)(2)Cu](n) (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N(2)O(2) donor Schiff base ligand (H(2)L = N, N'-bis(2-hydroxyacetophenone) propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled…

StereochemistryDinuclear Copper(Ii) Complexeschemistry.chemical_elementNickel(Ii) ComplexesCrystal structureMagnetic-PropertiesCoordination complexInorganic ChemistryMetalchemistry.chemical_compoundCarbon-Dioxide FixationCrystal-StructuresMoleculeSchiff-Base ComplexesBinuclear ComplexesMolecular-Structurechemistry.chemical_classificationSchiff baseLigandExogenous BridgesCopperCrystallographychemistryvisual_artX-Rayvisual_art.visual_art_mediumDensity functional theoryDalton Transactions
researchProduct

Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni II 2 (L)(μ 1,1 -N 3 )]…

2016

International audience; The dinuclear Ni-II complex [Ni-2(L-2)][ClO4](2) (3) supported by the 28-membered hexaaza-dithiophenolate macro-cycle (L-2)(2-) binds the N-3(-) ion specifically end-on yielding [Ni-2(L-2)(mu(1,1)-N-3)] [ClO4] (7) or [Ni-2(L-2)(mu(1,1)-N-3)][BPh4] (8), while the previously reported complex [Ni2L1(mu(1,3)-N-3)][ClO4] (2) of the 24-membered macrocycle (L-1)(2-) coordinates it in the end-to-end fashion. A comparison of the X-ray structures of 2, 3, and 7 reveals the form-selective binding of complex 3 to be a consequence of its preorganized, channel-like binding pocket, which accommodates the azide anion via repulsive CH center dot center dot center dot pi interactions …

Steric effectsequilibrium-constantsStereochemistrytransition-metal-complexesCrystal structure010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencessolvation free-energyInorganic Chemistrychemistry.chemical_compoundtetranuclear nickel(ii) complexes[CHIM.CRIS]Chemical Sciences/CristallographyAntiferromagnetismMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistrymu-azidoEquilibrium constantmolecular-structure010405 organic chemistryChemistryLigandni-ii[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryend-to-end0104 chemical sciencesexchange interactionsCrystallographyAzideGround stateorbital interactions[ CHIM.RADIO ] Chemical Sciences/Radiochemistry
researchProduct