EPR and DFT studies of the one-electron reduction product of phospholium cations |
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Authors: | Adkine Prashant Cantat Thibault Deschamps Eliane Ricard Louis Mézailles Nicolas Le Floch Pascal Geoffroy Michel |
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Institution: | Department of Physical Chemistry, University of Geneva, 30 Quai Ernest Ansermet, 1211 Geneva, Switzerland. |
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Abstract: | 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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