Reaction dynamics in solution: the activated Cl+Cl2 exchange in fluid Ar

D. M. Charutz; R. D. Levine

doi:10.1016/0009-2614(92)85682-Z

Reaction dynamics in solution: the activated Cl+Cl₂ exchange in fluid Ar

D. M. Charutz
, R. D. Levine^*

^*Corresponding author for this work

Institute of Chemistry

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

5 Scopus citations

Abstract

Useful tools are available for the characterization of the dynamics of an isolated binary collision. A renormalization of the exact equations of motion whereby such tools are also applicable to reactions in a solvent is discussed. The well-studied Cl+Cl₂ exchange reaction in fluid Ar at 300 K is used as an illustration. Inter alia, we compute the opacity function, the energy requirements and the energy disposal. Due to the high (≈ 20 kcal mol^-1) barrier for the atom exchange and the wide cone of acceptance, the thermal reaction populates quite high vibrational and rotational products' states. The deviation from statistical behavior is well characterized by a linear surprisal plot.

Original language	English
Pages (from-to)	55-61
Number of pages	7
Journal	Chemical Physics Letters
Volume	193
Issue number	1-3
DOIs	https://doi.org/10.1016/0009-2614(92)85682-Z
State	Published - 22 May 1992

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abstract = "Useful tools are available for the characterization of the dynamics of an isolated binary collision. A renormalization of the exact equations of motion whereby such tools are also applicable to reactions in a solvent is discussed. The well-studied Cl+Cl2 exchange reaction in fluid Ar at 300 K is used as an illustration. Inter alia, we compute the opacity function, the energy requirements and the energy disposal. Due to the high (≈ 20 kcal mol-1) barrier for the atom exchange and the wide cone of acceptance, the thermal reaction populates quite high vibrational and rotational products' states. The deviation from statistical behavior is well characterized by a linear surprisal plot.",

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Reaction dynamics in solution: the activated Cl+Cl₂ exchange in fluid Ar

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