RATES FOR THE REACTIONS OF OPEN-SHELL IONS WITH MOLECULES

被引：44
|
作者：
CLARY, DC [1 ]
DATEO, CE [1 ]
SMITH, D [1 ]
机构：
[1] UNIV BIRMINGHAM,DEPT SPACE RES,BIRMINGHAM B15 2TT,W MIDLANDS,ENGLAND
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 167卷 / 1-2期
关键词：
D O I：
10.1016/0009-2614(90)85060-P
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：
Experimental rate coefficients for 34 exothermic reactions of C+ and N+ ions with molecules all take values between kc and fkc. Here, kc is a rate coefficient obtained from capture theory with a classical electrostatic potential and f is the fraction of potential energy surfaces that are attractive in the reactant channel. Ab initio calculations give f= 2 3 for C+ and f= 1 3 for N+. © 1990.
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页码：1 / 6
页数：6
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