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Title

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

Authors
Cantat, Thibault
Deschamps, Eliane
Ricard, Louis
Mézailles, Nicolas
Le Floch, Pascal
Published in Physical Chemistry Chemical Physics. 2006, vol. 8, no. 2, p. 862-868
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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Research group Groupe Geoffroy
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ADKINE, Prashant Madhukar et al. EPR and DFT studies of the one-electron reduction product of phospholium cations. In: Physical Chemistry Chemical Physics, 2006, vol. 8, n° 2, p. 862-868. doi: 10.1039/b513736p https://archive-ouverte.unige.ch/unige:3632

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Deposited on : 2009-10-02

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