THE RETICAL STUDIES ON THE THERMOLYSIS OF THIETANE

THE RETICAL STUDIES ON THE THERMOLYSIS OF THIETANE

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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. 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.

作者 Guang Ju CHEN Xiao Yuan FU Ao Qing TANG Chemistry Department,Beijing Normal University,Beijing 100875

出处《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第7期577-578,共2页 中国化学快报（英文版）

基金 Financial support was provided by National Educational Committee of China.

关键词 STO THE RETICAL STUDIES ON THE THERMOLYSIS OF THIETANE

分类号 O6 [理学—化学]

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Chinese Chemical Letters

1991年第7期

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THE RETICAL STUDIES ON THE THERMOLYSIS OF THIETANE

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