COMPUTER MODELING OF MULTISTEP CARBONIUM-ION REARRANGEMENTS - APPLICATIONS TO METHYLCYCLOPENTYL AND TERT-AMYL

被引:9
作者
SAUNDERS, M
BUDIANSKY, SP
机构
[1] Sterling Chemistry Laboratory, Yale University, New Haven
关键词
D O I
10.1016/S0040-4020(01)93704-4
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
A general Monte-Carlo method computer program is described which simulates carbonium ion rearrangements via 1,2-hydride shifts and protonated-cyclopropanes. Its application in examining possible overall rearrangement mechanisms in t-amyl cation is discussed. Results from an earlier version of the program for the case of methylcyclopentyl cation are also presented. © 1979.
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收藏
页码:929 / 932
页数:4
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