EPR and DFT studies of the one-electron reduction product of phospholium cations | Zendy

P. Adkine | Zendy; Thibault Cantat | Zendy; Éliane Deschamps | Zendy; L. Ricard | Zendy; Nicolas Mézailles | Zendy; Pascal Le Floch | Zendy; Michel Geoffroy | Zendy

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EPR and DFT studies of the one-electron reduction product of phospholium cations

Author(s) -

P. Adkine,

Thibault Cantat,

Éliane Deschamps,

L. Ricard,

Nicolas Mézailles,

Pascal Le Floch,

Michel Geoffroy

Publication year - 2005

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/b513736p

Subject(s) - unpaired electron , phosphole , delocalized electron , chemistry , electron paramagnetic resonance , one electron reduction , cyclic voltammetry , ring (chemistry) , spectroscopy , crystallography , photochemistry , radical , stereochemistry , nuclear magnetic resonance , electrode , organic chemistry , electrochemistry , physics , quantum mechanics

Cyclic voltammetry and EPR spectroscopy show that cationic phospholium groups are good electron acceptors whose reduction leads to a neutral radical where the unpaired electron is mainly delocalized on the carbon atoms of the five-membered ring. DFT calculations together with the crystal structure of phospholiums indicate that the electron addition causes a drastic diminution of the exocyclic CPC angle. The SOMO of reduced phospholium is compared to the SOMO of the phosphole radical anion.

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