The investigation of spin-orbit effect for the F( 2P) + HD reaction

Yan Zhang; Ting Xian Xie; Ke Li Han; John Z.H. Zhang

doi:10.1063/1.1650302

The investigation of spin-orbit effect for the F( ²P) + HD reaction

Yan Zhang, Ting Xian Xie, Ke Li Han, John Z.H. Zhang

Chemistry

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

Abstract

The nonadiabatic reaction of F( ²P _3/2, ²P _1/2) with H ₂ and D ^29,30 ₂ on the Alexander-Stark-Werner potential energy surface, was investigated using the time-dependent quantum wave packet method. The initial state-resolved reactive integral cross sections were determined by summing the reaction probabilities over all the partial waves. The branching ratios and the energy-dependent reactivity of the excited spin-orbit state for the two possible products, were calculated using the cross sections. The results show that at high collision energy, the reactivity of the excited spin-orbit state for the two possible products is no more than 43% of reativity of the ground spin-orbit state.

Original language	English (US)
Pages (from-to)	6000-6004
Number of pages	5
Journal	Journal of Chemical Physics
Volume	120
Issue number	13
DOIs	https://doi.org/10.1063/1.1650302
State	Published - Apr 1 2004

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1650302

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abstract = "The nonadiabatic reaction of F( 2P 3/2, 2P 1/2) with H 2 and D 29,30 2 on the Alexander-Stark-Werner potential energy surface, was investigated using the time-dependent quantum wave packet method. The initial state-resolved reactive integral cross sections were determined by summing the reaction probabilities over all the partial waves. The branching ratios and the energy-dependent reactivity of the excited spin-orbit state for the two possible products, were calculated using the cross sections. The results show that at high collision energy, the reactivity of the excited spin-orbit state for the two possible products is no more than 43% of reativity of the ground spin-orbit state.",

author = "Yan Zhang and Xie, {Ting Xian} and Han, {Ke Li} and Zhang, {John Z.H.}",

year = "2004",

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AU - Zhang, Yan

AU - Xie, Ting Xian

AU - Han, Ke Li

AU - Zhang, John Z.H.

PY - 2004/4/1

Y1 - 2004/4/1

N2 - The nonadiabatic reaction of F( 2P 3/2, 2P 1/2) with H 2 and D 29,30 2 on the Alexander-Stark-Werner potential energy surface, was investigated using the time-dependent quantum wave packet method. The initial state-resolved reactive integral cross sections were determined by summing the reaction probabilities over all the partial waves. The branching ratios and the energy-dependent reactivity of the excited spin-orbit state for the two possible products, were calculated using the cross sections. The results show that at high collision energy, the reactivity of the excited spin-orbit state for the two possible products is no more than 43% of reativity of the ground spin-orbit state.

AB - The nonadiabatic reaction of F( 2P 3/2, 2P 1/2) with H 2 and D 29,30 2 on the Alexander-Stark-Werner potential energy surface, was investigated using the time-dependent quantum wave packet method. The initial state-resolved reactive integral cross sections were determined by summing the reaction probabilities over all the partial waves. The branching ratios and the energy-dependent reactivity of the excited spin-orbit state for the two possible products, were calculated using the cross sections. The results show that at high collision energy, the reactivity of the excited spin-orbit state for the two possible products is no more than 43% of reativity of the ground spin-orbit state.

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The investigation of spin-orbit effect for the F( ²P) + HD reaction

Abstract

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