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 p...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.展开更多
基金Financial support was provided by National Educational Committee of China.
文摘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.
