引用本文:
洪三国, 王甡. MIVDO/3方法研究RC(X)OC(O)CH3热分解反应[J]. 物理化学学报,
1994, 10(09): 779-784.
doi:
10.3866/PKU.WHXB19940903
Citation: Hong San-Guo, Wang Shen. Study of the Thermolysis of RC(X)OC(O)CH3 Using MIVDO/3[J]. Acta Physico-Chimica Sinica, 1994, 10(09): 779-784. doi: 10.3866/PKU.WHXB19940903
Citation: Hong San-Guo, Wang Shen. Study of the Thermolysis of RC(X)OC(O)CH3 Using MIVDO/3[J]. Acta Physico-Chimica Sinica, 1994, 10(09): 779-784. doi: 10.3866/PKU.WHXB19940903
MIVDO/3方法研究RC(X)OC(O)CH3热分解反应
English
Study of the Thermolysis of RC(X)OC(O)CH3 Using MIVDO/3
Abstract:
MINDO/3 MO method has been used to study the thermolysis of RC(X)OC(O)CH3 (X=O or S). The results obtained show that acetic anhydride and thioacetic anhydride decompose into products through three routes, and the activation energies of the routes with the lowest energy barrier are 213.966(X=O) and 178.590(X=S)kJ.mol-1, respectively; the effect of phenyl group on the thermolysis is not important.
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