The IRC Method in Chemical Reactions (Ⅸ)--Reaction Ergodography for the Dehydrogenation of Silylthiol

Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (4): 543.

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The IRC Method in Chemical Reactions (Ⅸ)--Reaction Ergodography for the Dehydrogenation of Silylthiol

Han Yun-zhu, Zhao Cheng-da, Chen Bin

Department of Chemistry, Nartheast Nonnul University, Changchun, 130024

Received:1989-06-17 Online:1991-04-24 Published:1991-04-24

Abstract

Abstract: The reaction ergodography was performed for the dehydrogenation pathway of silylthiol, and the comparing study was made for this result with that of the dehydrogenation of methanethiol. It reveals both of these two reaction pathways to be concerted, but nonsynchronous. The activation energy is favour to the dehydrogenation of silylthiol, however, the activation entropy and frequency factor are favour to the dehydrogenation of methanethiol.

Key words: Ab initio, Dehydrogenation pathway, Silylthiol

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Han Yun-zhu, Zhao Cheng-da, Chen Bin . The IRC Method in Chemical Reactions (Ⅸ)--Reaction Ergodography for the Dehydrogenation of Silylthiol[J]. Chem. J. Chinese Universities, 1991, 12(4): 543.

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The IRC Method in Chemical Reactions (Ⅸ)--Reaction Ergodography for the Dehydrogenation of Silylthiol

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