A DFT Study of Acetylenic Alkali Metal Thiolates |
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| Authors: | M L Petrov A V Belyakov |
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| Institution: | (1) St. Petersburg State Institute of Technology, St. Petersburg, Russia |
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| Abstract: | Quantum-chemical calculations by the density functional theory (DFT) method showed that of acetylenic thiolates and their structural analogs, thioketene or thiirene anions, acetylenic thiolates and thioketene anions are only stable, and the negative charge in them is mostly localized on the sulfur atom.__________Translated from Zhurnal Obshchei Khimii, Vol. 75, No. 7, 2005, pp. 1206–1210.Original Russian Text Copyright © 2005 by Petrov, Belyakov. |
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