THE HEATS OF FORMATION OF CYCLIC AND LINEAR (C3H2)-H-(+.)

被引：35
|
作者：
PRODNUK, SD
DEPUY, CH
BIERBAUM, VM
机构：
[1] Department of Chemistry and Biochemistry, University of Colorado, Boulder
来源：
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES | 1990年 / 100卷
关键词：
D O I：
10.1016/0168-1176(90)85103-9
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
The hydrogen atom abstraction reaction of C3H+ with H2 is shown by gas-phase ion-molecule bracketing reactions to be exothermic, with a small (about 1 kcal mol-1 barrier. The heats of formation of the cyclic and linear isomers of C3H+{radical dot}2 are determined to be 322 ± 4 kcal mol-1 and 334 ± 4 kcal mol-1 respectively. Ab initio calculations confirm that the cyclic isomer is the more stable form by 12 kcal mol-1. The results are compared with the thermochemistry determined by other workers. © 1990.
引用
收藏
页码：693 / 699
页数：7
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