Mechanism of Reactions of Thiols and Disulfides with Dihaloalkanes: A Quantum-Chemical Study |
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| Authors: | V. A. Shagun E. N. Deryagina N. A. Korchevin N. V. Russavskaya |
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| Affiliation: | (1) Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russia |
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| Abstract: | The potential surfaces of the reactions of thiols and disulfides with haloalkanes in the gas phase and with participation of a hydrizine molecule were studied quantum-chemically. The stereoelectronic characteristics of the prereaction complexes and reaction products were studied. The transition states were localized. The four-center reaction mechanism is preferable. The increased activation barrier in exchange of thiols with chloroalkanes is the major factor responsible for formation of unsymmetrical chlorinated sulfides.__________Translated from Zhurnal Obshchei Khimii, Vol. 75, No. 1, 2005, pp. 89–95.Original Russian Text Copyright © 2005 by Shagun, Deryagina, Korchevin, Russavskaya. |
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