Quantum Chemical Study on the Thermal Decompositions of Acyl Nitrites

Peng Yiyuan Li Yonghong Wang Shen Hong Sanguo (Department of Chemistry,Jiangxi Normal University,Nanchang 330027)  

AM1 molecular orbital method using the unrestricted Hartree Fock(UHF) caculations has been appliced to investigate the thermal decomposition of acyl nitrites.The results obtained indicate that the reaction pathway is a procees elimination NO to form RC(O)O ·.

【Fund】： 江西省自然科学基金
【CateGory Index】： O641.6

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