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烷酰基膦烷衍生物热分解反应的理论研究
Quantum Chemical Study on the Pyrolysis of β-oxoethylidenephosphorane
【摘要】 用RHF/AM1方法研究了烷酰基膦烷衍生物的热分解反应机理.研究结果表明,反应所循的路径是经一个四元环过渡态,消去R1R2R3PO,生成炔烃的过程.
【Abstract】 AM1 molecular orbital methods using the restricted Hartree Fock(RHF)calculations has been applied to investigate the pyrolysis of β oxoethylidenephosphorane.The results obtained indicate that the reaction pathway is a four member ring transition state process of elimination R 1R 2R 3P O to yield ethynes.
【基金】 江西省自然科学基金
- 【文献出处】 江西师范大学学报(自然科学版) ,JOURNAL OF JIANGXI NORMAL UNIVERSITY (NATURAL SCIENCES EDITION) , 编辑部邮箱 ,1999年03期
- 【分类号】O643.12
- 【下载频次】18