Ab initio studies of the 1,2-rearrangements of alkylidenecarbenes XYC=C: (X, Y = Cl, H, Me and F)

被引：0

作者：

WANG Bing-Ze*

DENG Cong-Hao

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来源：

Acta Chimica Sinica(English Edition) | 1988年 / 03期

关键词：

Me and F; Ab initio studies of the 1,2-rearrangements of alkylidenecarbenes XYC; Cl;

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摘要：

The 1, 2-rearrangements of alkylidenecarbenes XYC=C: (X, Y=CI, H, Me and F)have been studied by using RHF/STO-3G gradient method. For these systems at the STO-3G level,the shift reactivities are in the order of CI>H>Me>F; the fixed groups with lower shift reactivitiesenhance the reactivities of the shift groups; the shift rule is that the group with a smaller angle formedby its center with C=C bond migrates prior to the others.

引用

页码：196 / 202

页数：7

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