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

Stephen J. Klippenstein; D. L. Yang; T. Yu; S. Kristyan; Ming-Chang Lin; S. H. Robertson

doi:10.1021/jp981946m

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

Stephen J. Klippenstein^*, D. L. Yang, T. Yu, S. Kristyan, Ming-Chang Lin, S. H. Robertson

^*Corresponding author for this work

Department of Applied Chemistry

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

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 language	English
Pages (from-to)	6973-6980
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	102
Issue number	35
DOIs	https://doi.org/10.1021/jp981946m
State	Published - 27 Aug 1998

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title = "A theoretical and experimental study of the CN + NO association reaction",

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.",

author = "Klippenstein, {Stephen J.} and Yang, {D. L.} and T. Yu and S. Kristyan and Ming-Chang Lin and Robertson, {S. H.}",

year = "1998",

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doi = "10.1021/jp981946m",

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TY - JOUR

T1 - A theoretical and experimental study of the CN + NO association reaction

AU - Klippenstein, Stephen J.

AU - Yang, D. L.

AU - Yu, T.

AU - Kristyan, S.

AU - Lin, Ming-Chang

AU - Robertson, S. H.

PY - 1998/8/27

Y1 - 1998/8/27

N2 - 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.

AB - 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.

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U2 - 10.1021/jp981946m

DO - 10.1021/jp981946m

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JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 35

ER -

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

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