Search results for "electron transfer"

showing 2 items of 282 documents

Molecular and electronic structure of square-planar nickel(ii), nickel(iii) and nickel(iii)π-cation radical complexes with a tetradentate o-phenylene…

2005

The molecular and electronic structures of the electron transfer series of four-coordinate square-planar nickel complexes with the ligand o-phenylenebis(N'-methyloxamidate), [NiL]z (z = 2-, 1-, 0), have been evaluated by DFT and TDDFT calculations, and most of their experimentally available structural and spectroscopic properties (X. Ottenwaelder et al., Dalton Trans., 2005, DOI: 10.1039/b502478a) have been reasonably reproduced at the B3LYP level of theory. The anionic species [NiL]2- and [NiL]- are genuine low-spin nickel II and nickel III complexes with diamagnetic singlet (S = 0) and paramagnetic doublet (S = 1/2) states, respectively. The nickel III complex presents shorter Ni-N(amidat…

OxalatesFree RadicalsMolecular StructureLigandchemistry.chemical_elementElectronsPhenylenediaminesLigandsPhotochemistryInorganic ChemistryParamagnetismElectron transferCrystallographyNickelModels ChemicalchemistryNickelCovalent bondCationsExcited stateOrganometallic CompoundsQuantum TheorySinglet stateGround stateOxidation-ReductionDalton Transactions
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Initial Radical Cation Pathway in the Mo2Cl10-Mediated Dehydrogenative Arene Coupling

2015

Experimental (EPR) and theoretical (DFT) evidence is provided for radical cation formation as initial step in the Mo2Cl10-mediated dehydrogenative arene coupling. The initial electron transfer from methoxyarenes to molybdenum proceeds via an inner sphere mechanism.

ChemistryOrganic Chemistrychemistry.chemical_elementGeneral ChemistryInner sphere electron transferPhotochemistryCatalysislaw.inventionCoupling (electronics)Electron transferC c couplingRadical ionlawMolybdenumElectron paramagnetic resonanceChemistry - A European Journal
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