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

Stephen J. Klippenstein, D. L. Yang, T. Yu, S. Kristyán, M. C. Lin, S. H. Robertson

Research output: Contribution to journalArticle

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Abstract

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, 〈ΔE〈d0wn, 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) cm3 s-1 reproduces the present theoretical estimates for the high-pressure rate constant in the range from 207 to 740 K.

Original languageEnglish
Pages (from-to)6973-6980
Number of pages8
JournalJournal of Physical Chemistry A
Volume102
Issue number35
Publication statusPublished - Aug 27 1998

Fingerprint

association reactions
Association reactions
kinetics
laser induced fluorescence
pressure dependence
gas pressure
photolysis
baths
pulsed lasers
Kinetics
energy transfer
Photolysis
dissociation
Pulsed lasers
Energy transfer
temperature dependence
Rate constants
estimates
Gases
Fluorescence

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Klippenstein, S. J., Yang, D. L., Yu, T., Kristyán, S., Lin, M. C., & Robertson, S. H. (1998). A theoretical and experimental study of the CN + NO association reaction. Journal of Physical Chemistry A, 102(35), 6973-6980.

A theoretical and experimental study of the CN + NO association reaction. / Klippenstein, Stephen J.; Yang, D. L.; Yu, T.; Kristyán, S.; Lin, M. C.; Robertson, S. H.

In: Journal of Physical Chemistry A, Vol. 102, No. 35, 27.08.1998, p. 6973-6980.

Research output: Contribution to journalArticle

Klippenstein, SJ, Yang, DL, Yu, T, Kristyán, S, Lin, MC & Robertson, SH 1998, 'A theoretical and experimental study of the CN + NO association reaction', Journal of Physical Chemistry A, vol. 102, no. 35, pp. 6973-6980.
Klippenstein SJ, Yang DL, Yu T, Kristyán S, Lin MC, Robertson SH. A theoretical and experimental study of the CN + NO association reaction. Journal of Physical Chemistry A. 1998 Aug 27;102(35):6973-6980.
Klippenstein, Stephen J. ; Yang, D. L. ; Yu, T. ; Kristyán, S. ; Lin, M. C. ; Robertson, S. H. / A theoretical and experimental study of the CN + NO association reaction. In: Journal of Physical Chemistry A. 1998 ; Vol. 102, No. 35. pp. 6973-6980.
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