The C-C bond is stronger than the C-Cl bond in CH3COCl

被引:25
作者
Arunan, E
机构
[1] Department of Chemistry, Indian Institute of Technology, Kanpur
关键词
D O I
10.1021/jp970576j
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 C-C and C-Cl bond dissociation energies, D-0 at 0 K, in CH3COCl are determined from the recent, accurate experimental enthalpies of formation for CH3COCl, CH3, COCl, CH3CO, and Cl. D-0(C-C) is 85.9 +/- 0.8 kcal mol(-1), and D-0(C-Cl) is 83.0 +/- 1.0 kcal mol(-1). This suggests that the C-C bond is stronger than the C-Cl bond in CH3COCl, unlike what has been assumed in several recent publications on the photodissociation of CH3COCl. Results from recent ab initio calculations agree with this order of bond dissociation energies.
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页码:4838 / 4839
页数:2
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