Search results for "Phosphorus Ligands"

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The Taming of Redox‐Labile Phosphidotitanocene Cations

2019

International audience; Tame d0 phosphidotitanocene cations stabilized with a pendant tertiary phosphane arm are reported. These compounds were obtained by one-electron oxidation of d1 precursors with [Cp2Fe][BPh4]. The electronic structure of these compounds was studied experimentally (EPR, UV/Vis, and NMR spectroscopy, X-ray diffraction analysis) and through DFT calculations. The theoretical analysis of the bonding situation by using the electron localization function (ELF) shows the presence of π-interactions between the phosphido ligand and Ti in the d0 complexes, whereas dπ–pπ repulsion prevents such interactions in the d1 complexes. In addition, CH–π interactions were observed in seve…

010402 general chemistry01 natural sciencesRedoxTransition metal phosphidesCatalysisFrustrated Lewis pairlaw.inventionchemistry.chemical_compoundFrustrated Lewis Pair (FLP)[CHIM.ANAL]Chemical Sciences/Analytical chemistrylaw[CHIM.COOR]Chemical Sciences/Coordination chemistryPhosphorus LigandsElectron paramagnetic resonanceDiphenylacetyleneComputingMilieux_MISCELLANEOUSTitanium[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryLigandOrganic Chemistry[CHIM.MATE]Chemical Sciences/Material chemistryGeneral ChemistryNuclear magnetic resonance spectroscopyElectron localization function0104 chemical sciencesHomolysis[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryDensity Functional Theory (DFT)Crystallographychemistry[CHIM.CHEM]Chemical Sciences/CheminformaticsChemistry – A European Journal

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