Dynamics study on the non-adiabatic Na(3p) + HD → NaH/NaD + D/H reaction: insertion–abstraction mechanism
Author:
Affiliation:
1. Key Laboratory of Materials Modification by Laser
2. Electron, and Ion Beams (Ministry of Education)
3. School of Physics
4. Dalian University of Technology
5. Dalian 116024
Abstract
The non-adiabatic couplings in the Na(3p) + HD → NaH/NaD + D/H reaction could reduce the lifetime of an intermediate complex.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06026J
Reference60 articles.
1. New diabatic potential energy surfaces of the NaH2 system and dynamics studies for the Na(3p) + H2 → NaH + H reaction
2. Rotational and vibrational state distributions of NaH in the reactions of Na(4S2,3D2,and6S2) with H2: Insertion versus harpoon-type mechanisms
3. Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p)+H2→Na(3s)+H2 and Na(3p)+H2→NaH+H
4. Vibrationally induced formation of NaH in the Na(3p)+H2 collision system: Rate equation model and comparison with experimental results
5. Determination of the reaction dynamics of sodium hydride in a hydrogen atmosphere with degenerate four-wave mixing
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