Setaroth Chhun1, Jacqueline Berges1, Virginie Bleton1, Zohreh Abedinzadeh2
1 Laboratoire de Chimie Theorique, UMR 7616 CNRS, Universite P. et M. Curie, 4 place Jussieu 75230, Paris Cedex, France,
2 Laboratoire de Chimie Physique, URA 400, Univertsite R. Descartes, 45 rue des Saints-Peres, 75270 Paris Cedex 06, France
One-electron oxidation of thiols by oxidizing radicals leads to the formation of thiyl and carbon-centered radicals. It has been shown experimentally that in the absence of oxygen, the thiyl radicals derived from certain thiols of biological interest such a glutathione, cysteine and homocysteine decay rapidly by intramolecular rearrangement reactions into the carbon-centered radical. In the present work we have investigated theoretically the structure and the stability of thiyl and carbon-centred radicals of homocystein in order to check the possibility of this rearrangement.