【摘 要】
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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-
【出 处】
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Acta Chimica Sinica(English Edition)
论文部分内容阅读
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.
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. 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 formed by its center with C = C bond migrates prior to the others.
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