Insertion and Abstraction Pathways in the Reaction $O ({}^{1}D_{2}) + H_{2} \to O H + H$

26 February 2001

journal article
research article
Published by American Physical Society (APS) in Physical Review Letters

Vol. 86 (9), 1729-1732
https://doi.org/10.1103/physrevlett.86.1729

Abstract

Rigorous quantum dynamical calculations have been performed on the ground

1 {}^{1}A^{'}

and first excited

1 {}^{1}A^{''}

electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the

1 {}^{1}A^{''}

excited state participates in the reaction.

Keywords

This publication has 23 references indexed in Scilit:

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Abstract

Keywords

Insertion and Abstraction Pathways in the Reaction $O ({}^{1}D_{2}) + H_{2} \to O H + H$