CONFORMATIONALLY DEPENDENT HEAVY-ATOM EFFECT OF CHLORINE ON ALKENE TRIPLET LIFETIMES - EXPERIMENTAL AND ABINITIO CALCULATIONS

被引:23
|
作者
CALDWELL, RA [1 ]
JACOBS, LD [1 ]
FURLANI, TR [1 ]
NALLEY, EA [1 ]
LABOY, J [1 ]
机构
[1] CALSPAN ADV TECHNOL CTR,BUFFALO,NY 14225
关键词
D O I
10.1021/ja00031a013
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The heavy atom effect of vinyl Cl in enhancing ISC rates of arylalkene triplets is shown to be much greater for substrates which can access nonplanar conformations. The experimental results are consistent with ab initio calculations of spin-orbit coupling.
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页码:1623 / 1625
页数:3
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