A theoretical and experimental study of the CN+NO association reaction

被引:14
|
作者
Klippenstein, SJ [1 ]
Yang, DL
Yu, T
Kristyan, S
Lin, MC
Robertson, SH
机构
[1] Case Western Reserve Univ, Dept Chem, Cleveland, OH 44106 USA
[2] Emory Univ, Dept Chem, Atlanta, GA 30322 USA
[3] Mol Simulat Inc, Cambridge CB5 8RE, England
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 35期
关键词
D O I
10.1021/jp981946m
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
A pulsed-laser photolysis/laser-induced fluorescence technique is employed in the determination of the pressure and temperature dependence of the reaction of CN with NO in the range from 207 to 740 K and for Ar bath gas pressures ranging from 30 to 900 Torr. A variational RRKM model coupled with a one-dimensional master equation treatment provides a reasonably satisfactory description of the available kinetic data for both the association and dissociation processes. The association kinetic data is best fit by a collisional energy transfer parameter, [Delta E](down), for the simple exponential down model, which gradually increases from -35 cm(-1) at 100 K to -500 cm(-1) at 740 K. The expression 3.4 x 10(-10) exp(120/T) cm(3) s(-1) reproduces the present theoretical estimates for the high-pressure rate constant in the range from 207 to 740 K.
引用
收藏
页码:6973 / 6980
页数:8
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