Theoretical Study of the Thermal Decomposition of Chlorofluoromethanol (CHClFOH)

2000中国化学快报：英文版Earth and Planetary Sciences被引 1

摘要

A complete potential energy surface for the CHClFOH system was calculated at the G3(MP2) level. The calculations reveal that the four-center 1,2-HX (X=F, Cl) elimination mechanism rather than the bond scission mechanism dominate decomposition of CHClFOH. The results are valuable to understand the atmospheric chemistry of HCFC-31.

引用本文（GB/T 7714）

Kong Bao. Theoretical Study of the Thermal Decomposition of Chlorofluoromethanol (CHClFOH)[J]. 中国化学快报：英文版, 2000.

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