COMPUTATION OF AN ORBITAL ISOMER OF CYCLOBUTYNE

被引：7
|
作者：
DEWAR, MJS
GILBERT, JC
KIRSCHNER, S
机构：
[1] AUSTIN COMMUNITY COLL,DEPT CHEM,AUSTIN,TX 78741
[2] UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611
[3] UNIV TEXAS,DEPT CHEM & BIOCHEM,AUSTIN,TX 78712
来源：
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1994年 / 09期
关键词：
D O I：
10.1039/c39940001105
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
AM1 molecular orbital calculations of the ring-expansion of cyclopropylidenecarbene 4 and the dehydrogenation of cyclobutene show that this process affords an orbital isomer 1 of cyclobutyne that is the global minimum and reacts in opposition to orbital symmetry predictions.
引用
收藏
页码：1105 / 1106
页数：2
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