Search results for "Bridging ligands"

showing 4 items of 4 documents

DFT/TD-DFT Framework of Mixed-Metal Complexes with Symmetrical and Unsymmetrical Bridging Ligands—Step-By-Step Investigations: Mononuclear, Dinuclear…

2021

Recently, mono- and dinuclear complexes have been in the interest of scientists due to their potential application in optoelectronics. Herein, progressive theoretical investigations starting from mononuclear followed by homo- and heterometallic dinuclear osmium and/or ruthenium complexes with NCN-cyclometalating bridging ligands substituted by one or two kinds of heteroaryl groups (pyrazol-1-yl and 4-(2,2-dimethylpropyloxy)pyrid-2-yl) providing the short/long axial symmetry or asymmetry are presented. Step-by-step information about the particular part that built the mixed-metal complexes is crucial to understanding their behavior and checking the necessity of their eventual studies. Evaluat…

TechnologyMicroscopyQC120-168.85complexesTQH201-278.5pyrene bridging ligands; complexes; osmium; ruthenium; DFT; TD-DFTosmiumEngineering (General). Civil engineering (General)DFTArticleTK1-9971pyrene bridging ligandsDescriptive and experimental mechanicsGeneral Materials ScienceElectrical engineering. Electronics. Nuclear engineeringTA1-2040rutheniumTD-DFTMaterials
researchProduct

High-dimensional mixed-valence copper cyanide complexes: Syntheses, structural characterizations and magnetism

2009

International audience; Reactions of CuCl 2 with different CN complexes in presence of a neutral ancillary ligand lead to two novel mixed-valence Cu complexes [Cu II (bpy)Cu I (CN) 3 ] n , 1 (bpy=2,2′-bipyridine) and {[Cu II (tn) 2 ][Cu I 4 (CN) 6 ]} n 2 (tn=1,3-diaminopropane). For compound 1, the asymmetric unit involves two Cu ions Cu1 and Cu2 (Cu I and Cu II centres, respectively) which strongly differ in their environments. The Cu1 ion presents a CuC 4 pseudo-tetrahedral geometry, while the Cu2 ion presents a CuN 5 slightly distorted square-pyramidal geometry. The extended structure of 1 is generated by three cyano ligands which differ in their coordination modes. One CN group has a μ …

DenticityMagnetismInorganic chemistrychemistry.chemical_element[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesCoordination modesIonInorganic ChemistryParamagnetismMagnetic propertiesMaterials ChemistryMixed-valence[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryValence (chemistry)Bridging ligands010405 organic chemistryLigand[CHIM.ORGA]Chemical Sciences/Organic chemistryCopper0104 chemical sciencesCrystallographyCopper cyanideschemistryCN-group
researchProduct

Two new supramolecular architectures of singly phenoxo-bridged copper(II) and doubly phenoxo-bridged manganese(II) complexes derived from an unusual …

2009

International audience; Two new coordination complexes {[(L)Cu2('-L)(NO3)(CH3OH)0.3(H2O)0.7]·NO3}[Cu(L)(NO3)(CH3OH)] (1) and [Mn2(-L)2(H2O)(1-N3)2(CH3OH)] (2) derived from (E)-N-(2-hydroxy-3-methoxybenzylidene)acetohydrazide [LH] have been synthesized. The new potentially tetradentate ONOO donor hydrazone ligand [LH] has shown considerable metal ion selective phenoxo bridging in 1 and 2. It has coordinated copper(II) ions in its tridentate as well as in tetradentate fashion whereas for manganese(II) ions it solely showed its tetradentate character. In 1 the two adjacent pentacoordinate copper(II) centers are connected by a rare single phenoxo linkage of the hydrazone ligand whereas 2 is a d…

StereochemistrySupramolecular chemistrychemistry.chemical_elementManganese010402 general chemistry01 natural sciencesHydrogen bondslaw.inventionIonInorganic ChemistryMetalO ligandslawElectron paramagnetic resonanceBridging ligands010405 organic chemistryChemistryHydrogen bondStructure elucidation[CHIM.MATE]Chemical Sciences/Material chemistryCopper0104 chemical sciencesDensity functional calculationsCrystallographyvisual_artvisual_art.visual_art_mediumHydrazone ligandSupramolecular chemistry
researchProduct

Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts

2017

The influence of the substitution, orientation and structure of the phosphido bridges in [Fe2(CO)6(μ-PR2)2] electrocatalysts of proton reduction has been studied. The isomers e,a-[Fe2(CO)6{μ-P(Ar)H}2] (1a(Ar): Ar = Ph, 2′-methoxy-1,1′-binaphthyl (bn′)), e,e-[Fe2(CO)6{μ-P(Ar)H}2] (1b(Ar): Ar = Ph, bn′) were isolated from reactions of iron pentacarbonyl and the corresponding primary phosphine, syntheses that also afforded the phosphinidene-capped tri-iron clusters, [Fe3(CO)9(μ-CO)(μ3-Pbn′)] (2) and [Fe3(CO)9(μ3-PAr)2] (3(Ar), Ar = Ph, bn′). A ferrocenyl (Fc)-substituted dimer [Fe2(CO)6{μ:μ′-1,2-(P(CH2Fc)CH2)2C6H4}] (4), in which the two phosphido bridges are linked by an o-xylyl group, was al…

chemistry.chemical_classificationHydrogen010405 organic chemistryDimerbridging ligandsphosphido ligandschemistry.chemical_elementSulfonic acid010402 general chemistryPhotochemistryElectrochemistryproton reduction01 natural sciences0104 chemical sciencesIron pentacarbonylCatalysisInorganic Chemistrychemistry.chemical_compoundCrystallographyiron complexeschemistryelectrocatalysista116PhosphineTetrahydrofuranDalton Transactions
researchProduct