ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Using stationary-point information from a BAC-MP4 potential-energy surface and statistical-dynamical methods, we have calculated the total rate coefficient for the two-channel reaction,\documentclass{article}\pagestyle{empty}\begin{document}$ CH3+NO\rightarrow HCN+H2O\quad (R1) $\end{document}\documentclass{article}\pagestyle{empty}\begin{document}$ \rightarrow H2CN+OH,\quad (R2) $\end{document}in the temperature range 1000 K≥T≥2500 K. The result obtained,\documentclass{article}\pagestyle{empty}\begin{document}$ kT=3.0 \times 10-1T3.52exp(-3950/RT) cm3/mole s, $\end{document}is in excellent agreement with recent shock-tube measurements of kT by Braun-Unkhoff, et al. and Hennig and Wagner. Qualitative considerations suggest that the radical channel (R2) is dominant in this temperature range. The analysis and the results are discussed in some detail. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 223-228, 1998.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
