CN radical reactions with hydrogen cyanide and cyanogen: Comparison of theory and experiment

D. L. Yang; T. Yu; Ming-Chang Lin; C. F. Melius

doi:10.1063/1.463945

CN radical reactions with hydrogen cyanide and cyanogen: Comparison of theory and experiment

D. L. Yang^*, T. Yu, Ming-Chang Lin, C. F. Melius

^*Corresponding author for this work

Department of Applied Chemistry

Research output: Contribution to journal › Review article › peer-review

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Abstract

Absolute rate constants were obtained for CN radical reactions with HCN and C₂N₂ employing the method of laser photolysis/laser induced fluorescence. The rate constants were found to be temperature dependent in the range 300-740 K and pressure independent in the range 100-600 Torr. The rates for CN + HCN may be described well, in units of cm³/s, by k(HCN) = 2.50×10^-17T^1.71 exp( - 770/T), which includes the shock tube results of Szekely et al. at 3000 K [Int. J. Chem. Kinetics 15, 1237 (1983)]. The measured rates for CN + C₂N ₂ may be described well by k(C₂N₂) = 2.19×10^-21T^2.70 exp( - 325/T). Rice-Ramsperger- Kassel-Marcus (RRKM) theory calculations employing transition state parameters predicted by the BAC-MP4 method were able to account for the effects of temperature and pressure on both reactions.

Original language	English
Pages (from-to)	222-226
Number of pages	5
Journal	The Journal of chemical physics
Volume	97
Issue number	1
DOIs	https://doi.org/10.1063/1.463945
State	Published - 1992

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title = "CN radical reactions with hydrogen cyanide and cyanogen: Comparison of theory and experiment",

abstract = "Absolute rate constants were obtained for CN radical reactions with HCN and C2N2 employing the method of laser photolysis/laser induced fluorescence. The rate constants were found to be temperature dependent in the range 300-740 K and pressure independent in the range 100-600 Torr. The rates for CN + HCN may be described well, in units of cm3/s, by k(HCN) = 2.50×10-17T1.71 exp( - 770/T), which includes the shock tube results of Szekely et al. at 3000 K [Int. J. Chem. Kinetics 15, 1237 (1983)]. The measured rates for CN + C2N 2 may be described well by k(C2N2) = 2.19×10-21T2.70 exp( - 325/T). Rice-Ramsperger- Kassel-Marcus (RRKM) theory calculations employing transition state parameters predicted by the BAC-MP4 method were able to account for the effects of temperature and pressure on both reactions.",

author = "Yang, {D. L.} and T. Yu and Ming-Chang Lin and Melius, {C. F.}",

year = "1992",

doi = "10.1063/1.463945",

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volume = "97",

pages = "222--226",

journal = "The Journal of chemical physics",

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publisher = "American Institute of Physics",

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TY - JOUR

T1 - CN radical reactions with hydrogen cyanide and cyanogen

T2 - Comparison of theory and experiment

AU - Yang, D. L.

AU - Yu, T.

AU - Lin, Ming-Chang

AU - Melius, C. F.

PY - 1992

Y1 - 1992

N2 - Absolute rate constants were obtained for CN radical reactions with HCN and C2N2 employing the method of laser photolysis/laser induced fluorescence. The rate constants were found to be temperature dependent in the range 300-740 K and pressure independent in the range 100-600 Torr. The rates for CN + HCN may be described well, in units of cm3/s, by k(HCN) = 2.50×10-17T1.71 exp( - 770/T), which includes the shock tube results of Szekely et al. at 3000 K [Int. J. Chem. Kinetics 15, 1237 (1983)]. The measured rates for CN + C2N 2 may be described well by k(C2N2) = 2.19×10-21T2.70 exp( - 325/T). Rice-Ramsperger- Kassel-Marcus (RRKM) theory calculations employing transition state parameters predicted by the BAC-MP4 method were able to account for the effects of temperature and pressure on both reactions.

AB - Absolute rate constants were obtained for CN radical reactions with HCN and C2N2 employing the method of laser photolysis/laser induced fluorescence. The rate constants were found to be temperature dependent in the range 300-740 K and pressure independent in the range 100-600 Torr. The rates for CN + HCN may be described well, in units of cm3/s, by k(HCN) = 2.50×10-17T1.71 exp( - 770/T), which includes the shock tube results of Szekely et al. at 3000 K [Int. J. Chem. Kinetics 15, 1237 (1983)]. The measured rates for CN + C2N 2 may be described well by k(C2N2) = 2.19×10-21T2.70 exp( - 325/T). Rice-Ramsperger- Kassel-Marcus (RRKM) theory calculations employing transition state parameters predicted by the BAC-MP4 method were able to account for the effects of temperature and pressure on both reactions.

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U2 - 10.1063/1.463945

DO - 10.1063/1.463945

M3 - Review article

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SN - 0021-9606

VL - 97

SP - 222

EP - 226

JO - The Journal of chemical physics

JF - The Journal of chemical physics

IS - 1

ER -

CN radical reactions with hydrogen cyanide and cyanogen: Comparison of theory and experiment

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