TEMPERATURE-DEPENDENCE OF THE KINETICS OF THE REACTION BO+H2-]HBO+H

被引:25
作者
GARLAND, NL [1 ]
STANTON, CT [1 ]
NELSON, HH [1 ]
PAGE, M [1 ]
机构
[1] USN,RES LAB,COMPUTAT PHYS & FLUID DYNAM LAB,WASHINGTON,DC 20375
关键词
Rate constants;
D O I
10.1063/1.460955
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
We have measured the rate constant for the reaction of BO with H-2 between 690 and 1030 K. The results are compared to transition-state-theory calculations consistent with a revised value for the heat of formation of the product HBO. By scaling the frequency of the doubly degenerate bend of the HHBO transition state in analogy with the isoelectronic HHCN transition state and lowering the calculated barrier from 9.5 to 8.5 kcal/mol, we are able to bring the theoretical and experimental rate constants into excellent agreement. Over the temperature range 300-3000 K, the theoretical rate constant is well represented by k(T) = 7.49 x 10(-23) cm3 s-1 T3.53 exp(- 1590/T).
引用
收藏
页码:2511 / 2515
页数:5
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