MONTE-CARLO STUDY OF LACTONE FORMATION KINETICS

被引：3
|
作者：
ALEMANY, P
VILASECA, E
机构：
[1] Department de Química Física, Facultat de Química, Universitat de Barcelona, 08028 Barcelona
来源：
JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 239卷
关键词：
D O I：
10.1016/0022-2860(90)80213-4
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The Monte-Carlo method is applied to the study of the conformational behaviour of the ω-bromoalkanoate anions in order to analyse the dependence on the molecular chain length of the experimental rate constants for the lactone formation. The results show that the probability of a favourable contact between the reactive atoms to undergo a SN2 reaction is extremely dependent on the conformational features of each molecule. © 1990.
引用
收藏
页码：193 / 203
页数：11
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