Steric hindrance can be probed via the dependence of the reactivity on reagent rotation: O+HCl

H. Kornweitz; A. Persky; I. Schechter; R. D. Levine

doi:10.1016/0009-2614(90)85636-q

Steric hindrance can be probed via the dependence of the reactivity on reagent rotation: O+HCl

H. Kornweitz, A. Persky, I. Schechter, R. D. Levine

Department of Chemistry

Hebrew University of Jerusalem

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

24 Scopus citations

Abstract

Kinematic considerations imply that the steric hindrance due to a "bulky" group can be directly probed using rotationally excited reactants. At typical collision and angular velocities, a shadow due to the bulky group restricts entry into the cone of acceptance for rotationally excited reactants. The conclusion is discussed for the realistic case where the anisotropy of the long range potential can reorient the incoming trajectories. Exact and approximate (reactant j_z conserving) classical trajectory computations for the O+HCl and O+DCl reactions, on two different potential energy surfaces are used as an illustration.

Original language	English
Pages (from-to)	489-496
Number of pages	8
Journal	Chemical Physics Letters
Volume	169
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(90)85636-q
State	Published - 22 Jun 1990

Bibliographical note

Funding Information:
The research at Bar-Ilan University was supported by the Fund for Basic Research administered by the Israel Academy of Sciences and Humanities. The Fritz Haber Research Center is supported by the Mi- nerva Gesellschaft Rir die Forschung, mbH, Munich, FRG.

Funding

The research at Bar-Ilan University was supported by the Fund for Basic Research administered by the Israel Academy of Sciences and Humanities. The Fritz Haber Research Center is supported by the Mi- nerva Gesellschaft Rir die Forschung, mbH, Munich, FRG.

Funders	Funder number
Fund for Basic Research
Mi- nerva Gesellschaft Rir die Forschung
Israel Academy of Sciences and Humanities

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title = "Steric hindrance can be probed via the dependence of the reactivity on reagent rotation: O+HCl",

abstract = "Kinematic considerations imply that the steric hindrance due to a {"}bulky{"} group can be directly probed using rotationally excited reactants. At typical collision and angular velocities, a shadow due to the bulky group restricts entry into the cone of acceptance for rotationally excited reactants. The conclusion is discussed for the realistic case where the anisotropy of the long range potential can reorient the incoming trajectories. Exact and approximate (reactant jz conserving) classical trajectory computations for the O+HCl and O+DCl reactions, on two different potential energy surfaces are used as an illustration.",

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note = "Funding Information: The research at Bar-Ilan University was supported by the Fund for Basic Research administered by the Israel Academy of Sciences and Humanities. The Fritz Haber Research Center is supported by the Mi- nerva Gesellschaft Rir die Forschung, mbH, Munich, FRG.",

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N1 - Funding Information: The research at Bar-Ilan University was supported by the Fund for Basic Research administered by the Israel Academy of Sciences and Humanities. The Fritz Haber Research Center is supported by the Mi- nerva Gesellschaft Rir die Forschung, mbH, Munich, FRG.

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AB - Kinematic considerations imply that the steric hindrance due to a "bulky" group can be directly probed using rotationally excited reactants. At typical collision and angular velocities, a shadow due to the bulky group restricts entry into the cone of acceptance for rotationally excited reactants. The conclusion is discussed for the realistic case where the anisotropy of the long range potential can reorient the incoming trajectories. Exact and approximate (reactant jz conserving) classical trajectory computations for the O+HCl and O+DCl reactions, on two different potential energy surfaces are used as an illustration.

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Steric hindrance can be probed via the dependence of the reactivity on reagent rotation: O+HCl

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