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

Published inPCCP. Physical chemistry chemical physics, vol. 8, no. 2, p. 862-868
Publication date2006
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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ADKINE, Prashant Madhukar et al. EPR and DFT studies of the one-electron reduction product of phospholium cations. In: PCCP. Physical chemistry chemical physics, 2006, vol. 8, n° 2, p. 862–868. doi: 10.1039/b513736p
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ISSN of the journal1463-9076
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