Trajectory studies of unimolecular processes. II. Dynamics of chloroacetylene dissociation

William L. Hase; Da Fei Feng

doi:10.1063/1.432256

Trajectory studies of unimolecular processes. II. Dynamics of chloroacetylene dissociation

William L. Hase, Da Fei Feng

Chemistry and Biochemistry

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Abstract

Lifetime distributions for H-C≡C-Cl with respect to dissociation were determined at 200, 175, and 150 kcal/mole. Both random and nonrandom sampling techniques were used. An analysis of distributions of internal coordinate energies shows that vibrational energy redistribution is nearly complete within 4.5×10^-13 sec. The results indicate that H-C≡C-Cl is an "intrinsic" RRKM molecule in the 200-150 kcal/mole energy domain.

Original language	English
Pages (from-to)	651-655
Number of pages	5
Journal	The Journal of Chemical Physics
Volume	64
Issue number	2
DOIs	https://doi.org/10.1063/1.432256
State	Published - 1976

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title = "Trajectory studies of unimolecular processes. II. Dynamics of chloroacetylene dissociation",

abstract = "Lifetime distributions for H-C≡C-Cl with respect to dissociation were determined at 200, 175, and 150 kcal/mole. Both random and nonrandom sampling techniques were used. An analysis of distributions of internal coordinate energies shows that vibrational energy redistribution is nearly complete within 4.5×10-13 sec. The results indicate that H-C≡C-Cl is an {"}intrinsic{"} RRKM molecule in the 200-150 kcal/mole energy domain.",

author = "Hase, {William L.} and Feng, {Da Fei}",

year = "1976",

doi = "10.1063/1.432256",

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journal = "The Journal of Chemical Physics",

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T1 - Trajectory studies of unimolecular processes. II. Dynamics of chloroacetylene dissociation

AU - Hase, William L.

AU - Feng, Da Fei

PY - 1976

Y1 - 1976

N2 - Lifetime distributions for H-C≡C-Cl with respect to dissociation were determined at 200, 175, and 150 kcal/mole. Both random and nonrandom sampling techniques were used. An analysis of distributions of internal coordinate energies shows that vibrational energy redistribution is nearly complete within 4.5×10-13 sec. The results indicate that H-C≡C-Cl is an "intrinsic" RRKM molecule in the 200-150 kcal/mole energy domain.

AB - Lifetime distributions for H-C≡C-Cl with respect to dissociation were determined at 200, 175, and 150 kcal/mole. Both random and nonrandom sampling techniques were used. An analysis of distributions of internal coordinate energies shows that vibrational energy redistribution is nearly complete within 4.5×10-13 sec. The results indicate that H-C≡C-Cl is an "intrinsic" RRKM molecule in the 200-150 kcal/mole energy domain.

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DO - 10.1063/1.432256

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JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

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ER -

Trajectory studies of unimolecular processes. II. Dynamics of chloroacetylene dissociation

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