THEORETICAL STUDIES ON THE THERMOLYSIS OF THIETANE

Guang Ju CHEN Xiao Yuan FU Ao Qing TANG

引用本文: Guang Ju CHEN,  Xiao Yuan FU,  Ao Qing TANG. THEORETICAL STUDIES ON THE THERMOLYSIS OF THIETANE[J]. Chinese Chemical Letters, 1991, 2(7): 577-578. shu
Citation:  Guang Ju CHEN,  Xiao Yuan FU,  Ao Qing TANG. THEORETICAL STUDIES ON THE THERMOLYSIS OF THIETANE[J]. Chinese Chemical Letters, 1991, 2(7): 577-578. shu

THEORETICAL STUDIES ON THE THERMOLYSIS OF THIETANE

摘要: The mechanism of the thermolysis of thietane to form ethylene and thioformaldehyde has been studied by using ab initio SCF MO method at STO-3G* and 3-21G* level.It has been found that there are two possible stepwise pathways.One is to break C-C bond firstly, while the other is to break C-S bond at first.The cleavage of C-S bond is pre-ferred over that of C-C bond.

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  • 收稿日期:  1991-04-10
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