Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.

Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.

Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum...

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Bibliographic Details
Main Authors: Aoiz, F, Bañares, L, Castillo, J, Brouard, M, Denzer, W, Vallance, C, Honvault, P, Launay, J, Dobbyn, A, Knowles, P
Format: Journal article
Language:English
Published: American Inst of Physics 2001
Description
Summary:Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" 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 1A" excited state participates in the reaction.

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