Non-RRKM kinetics in gas-phase SN2 nucleophilic substitution

Scott R. Vande Linde; William L. Hase

doi:10.1021/j100379a002

Non-RRKM kinetics in gas-phase S_N2 nucleophilic substitution

Scott R. Vande Linde, William L. Hase

Chemistry and Biochemistry

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96 Scopus citations

Abstract

Classical trajectories are used to simulate the intramolecular and unimolecular dynamics of Cl^-⋯CH₃Cl complexes formed by collisions between Cl^- and CH₃Cl. Unimolecular rate constants for decomposition of the complexes are decidedly non-RRKM and are consistent with a model in which only three or fewer modes in the complex are active in intramolecular vibrational energy redistribution.

Original language	English
Pages (from-to)	6148-6150
Number of pages	3
Journal	Journal of physical chemistry
Volume	94
Issue number	16
DOIs	https://doi.org/10.1021/j100379a002
State	Published - 1990

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title = "Non-RRKM kinetics in gas-phase SN2 nucleophilic substitution",

abstract = "Classical trajectories are used to simulate the intramolecular and unimolecular dynamics of Cl-⋯CH3Cl complexes formed by collisions between Cl- and CH3Cl. Unimolecular rate constants for decomposition of the complexes are decidedly non-RRKM and are consistent with a model in which only three or fewer modes in the complex are active in intramolecular vibrational energy redistribution.",

author = "{Vande Linde}, {Scott R.} and Hase, {William L.}",

year = "1990",

doi = "10.1021/j100379a002",

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journal = "Journal of physical chemistry",

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T1 - Non-RRKM kinetics in gas-phase SN2 nucleophilic substitution

AU - Vande Linde, Scott R.

AU - Hase, William L.

PY - 1990

Y1 - 1990

N2 - Classical trajectories are used to simulate the intramolecular and unimolecular dynamics of Cl-⋯CH3Cl complexes formed by collisions between Cl- and CH3Cl. Unimolecular rate constants for decomposition of the complexes are decidedly non-RRKM and are consistent with a model in which only three or fewer modes in the complex are active in intramolecular vibrational energy redistribution.

AB - Classical trajectories are used to simulate the intramolecular and unimolecular dynamics of Cl-⋯CH3Cl complexes formed by collisions between Cl- and CH3Cl. Unimolecular rate constants for decomposition of the complexes are decidedly non-RRKM and are consistent with a model in which only three or fewer modes in the complex are active in intramolecular vibrational energy redistribution.

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U2 - 10.1021/j100379a002

DO - 10.1021/j100379a002

M3 - Article

AN - SCOPUS:30844469815

SN - 0022-3654

VL - 94

SP - 6148

EP - 6150

JO - Journal of physical chemistry

JF - Journal of physical chemistry

IS - 16

ER -

Non-RRKM kinetics in gas-phase S_N2 nucleophilic substitution

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