THEORETICAL CHARACTERIZATION OF CYCLOADDITION REACTIONS OF THE CYCLOPROPYLCARBINYL CATION

被引：5

作者：

CRAMER, CJ ^{[1
]}

BARROWS, SE ^{[1
]}

机构：

[1] UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1994年 / 59卷 / 25期

关键词：

D O I：

10.1021/jo00104a011

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The gas-phase cycloaddition reactions of ethylene and 1,3-butadiene with the cyclopropylcarbinyl cation to produce the cyclohexyl and cycloocten-5-yl cation, respectively, have been computationally characterized. At levels of theory up to MP2/cc-pVDZ the reactions are quite asynchronous but are concerted (i.e.; there is only one transition state prior to formation of the product carbocycles).

引用

页码：7591 / 7593

页数：3

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