ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
With potential-energy-surface parameters provided by Walch's calculations of the reaction path, we have calculated the thermal rate coefficient for the reaction, \documentclass{article}\pagestyle{empty}\begin{document}$$ CH+N_2 \longleftrightarrow HCN + N.\eqno(R1) $$\end{document} The theory employed assumes that the change in the reaction of the electron spin has little or no effect on the rate coefficient. The resulting expression for k1, \documentclass{article}\pagestyle{empty}\begin{document}$$ k_1 = 3.68 \times 10^7 {\rm T}^{{\rm 1}{\rm .42}} \exp ({{ - 20723} \mathord{\left/ {\vphantom {{ - 20723} {{\rm RT}}}} \right. \kern-\nulldelimiterspace} {{\rm RT}}}){{{\rm cm}^{\rm 3} } \mathord{\left/ {\vphantom {{{\rm cm}^{\rm 3} } {{\rm mole} - \sec }}} \right. \kern-\nulldelimiterspace} {{\rm mole} - \sec }} $$\end{document} in the temperature range, 1000 K ≤ T ≤ 4000 K, is in remarkably good agreement with the limited amount of experimental data available, suggesting that the assumption is valid. The origins of the “prompt-NO” phenomenon, our analysis of reaction (RI), and comparison of the results with experiment are all discussed in detail. © 1997 John Wiley & Sons, Inc. Int J Chem Kinet 29: 253-259, 1997.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
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