Kinematic constraints in reactive collisions

I. Schechter; R. D. Levine; R. G. Gordon

doi:10.1021/j100174a034

Kinematic constraints in reactive collisions

I. Schechter, R. D. Levine^*, R. G. Gordon

^*Corresponding author for this work

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

25 Scopus citations

Abstract

The conversion of reactant orbital angular momentum to product rotational angular momentum is usually discussed for heavy + heavy-light A + BC reactive collisions. We argue that this will often be largely the case also for other mass combinations due to the steric requirements of the reaction. In particular, collinearly dominated reactions (e.g., H + H₂) would exhibit considerable kinematic polarization of the products. Computational results are provided for a number of reactive collisions (H + H₂, O + HCI, H + O₂, Li + HF), where due to the stereochemistry, the kinematic effects can be different from those due to the mass change alone. The implications of the discussion are that (i) for collinearly dominated reactions, the reaction probability (the "opacity function") can be related to the measured product rotational state distribution, (ii) the kinematic polarization of the reaction products can be more extreme than is often recognized, and (iii) surprisal analysis of product rotation can be understood in terms of kinematic constraints.

Original language	English
Pages (from-to)	8201-8205
Number of pages	5
Journal	Journal of Physical Chemistry
Volume	95
Issue number	21
DOIs	https://doi.org/10.1021/j100174a034
State	Published - 1991
Externally published	Yes

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title = "Kinematic constraints in reactive collisions",

abstract = "The conversion of reactant orbital angular momentum to product rotational angular momentum is usually discussed for heavy + heavy-light A + BC reactive collisions. We argue that this will often be largely the case also for other mass combinations due to the steric requirements of the reaction. In particular, collinearly dominated reactions (e.g., H + H2) would exhibit considerable kinematic polarization of the products. Computational results are provided for a number of reactive collisions (H + H2, O + HCI, H + O2, Li + HF), where due to the stereochemistry, the kinematic effects can be different from those due to the mass change alone. The implications of the discussion are that (i) for collinearly dominated reactions, the reaction probability (the {"}opacity function{"}) can be related to the measured product rotational state distribution, (ii) the kinematic polarization of the reaction products can be more extreme than is often recognized, and (iii) surprisal analysis of product rotation can be understood in terms of kinematic constraints.",

author = "I. Schechter and Levine, {R. D.} and Gordon, {R. G.}",

year = "1991",

doi = "10.1021/j100174a034",

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issn = "0022-3654",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Kinematic constraints in reactive collisions

AU - Schechter, I.

AU - Levine, R. D.

AU - Gordon, R. G.

PY - 1991

Y1 - 1991

N2 - The conversion of reactant orbital angular momentum to product rotational angular momentum is usually discussed for heavy + heavy-light A + BC reactive collisions. We argue that this will often be largely the case also for other mass combinations due to the steric requirements of the reaction. In particular, collinearly dominated reactions (e.g., H + H2) would exhibit considerable kinematic polarization of the products. Computational results are provided for a number of reactive collisions (H + H2, O + HCI, H + O2, Li + HF), where due to the stereochemistry, the kinematic effects can be different from those due to the mass change alone. The implications of the discussion are that (i) for collinearly dominated reactions, the reaction probability (the "opacity function") can be related to the measured product rotational state distribution, (ii) the kinematic polarization of the reaction products can be more extreme than is often recognized, and (iii) surprisal analysis of product rotation can be understood in terms of kinematic constraints.

AB - The conversion of reactant orbital angular momentum to product rotational angular momentum is usually discussed for heavy + heavy-light A + BC reactive collisions. We argue that this will often be largely the case also for other mass combinations due to the steric requirements of the reaction. In particular, collinearly dominated reactions (e.g., H + H2) would exhibit considerable kinematic polarization of the products. Computational results are provided for a number of reactive collisions (H + H2, O + HCI, H + O2, Li + HF), where due to the stereochemistry, the kinematic effects can be different from those due to the mass change alone. The implications of the discussion are that (i) for collinearly dominated reactions, the reaction probability (the "opacity function") can be related to the measured product rotational state distribution, (ii) the kinematic polarization of the reaction products can be more extreme than is often recognized, and (iii) surprisal analysis of product rotation can be understood in terms of kinematic constraints.

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JO - Journal of Physical Chemistry

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Kinematic constraints in reactive collisions

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