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

FJ Aoiz; L Bañares; JF Castillo; M Brouard; W Denzer; C Vallance; P Honvault; JM Launay; AJ Dobbyn; Peter Knowles

doi:10.1103/PhysRevLett.86.1729

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

FJ Aoiz, L Bañares, JF Castillo, M Brouard, W Denzer, C Vallance, P Honvault, JM Launay, AJ Dobbyn, Peter Knowles

Chemistry

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86 Citations (Scopus)

Abstract

Rigorous quantum dynamical calculations have been performed on the ground 1(1)A' and first ex cited 1(1)A " electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum start 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.

Original language	English
Pages (from-to)	1729-1732
Number of pages	4
Journal	Physical Review Letters
Volume	86
Issue number	9
Early online date	1 Feb 2001
DOIs	https://doi.org/10.1103/PhysRevLett.86.1729
Publication status	Published - 1 Feb 2001

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10.1103/PhysRevLett.86.1729

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AU - Aoiz, FJ

AU - Bañares, L

AU - Castillo, JF

AU - Brouard, M

AU - Denzer, W

AU - Vallance, C

AU - Honvault, P

AU - Launay, JM

AU - Dobbyn, AJ

AU - Knowles, Peter

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AB - Rigorous quantum dynamical calculations have been performed on the ground 1(1)A' and first ex cited 1(1)A " electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum start 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.

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JO - Physical Review Letters

JF - Physical Review Letters

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

Abstract

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