An accurate many-body expansion potential energy surface for AlH2 (22A′) and quantum dynamics in Al(3P) + H2 (v0 = 0–3, j0 = 0, 2, 4, 6) collisions-Reference-Cited by-同舟云学术

An accurate many-body expansion potential energy surface for AlH₂ (2²A′) and quantum dynamics in Al(³P) + H₂ (v₀ = 0–3, j₀ = 0, 2, 4, 6) collisions

Published:2022 Issue:27 Volume:24 Page:16637-16646
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lü Yanling¹,Zhang ChengYuan¹,Wang Hainan¹,Guo Qiang¹²,Li Yongqing¹²^ORCID

Affiliation:

1. Department of Physics, Liaoning University, Shenyang 110036, China

2. Lvyuan Institute of Energy & Environmental Science and Technology, Liaoning University, Shenyang, 110036, China

Abstract

A new PES is constructed for the present work in hyperspherical coordinates, which depicts all stable structures for the Al(3P) + H2(X1Σg+) → AlH(a3Π) + H(2S) reaction.

Funder

Liaoning Revitalization Talents Program

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/2022/CP/D2CP01802K

Reference79 articles.

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4. Matrix isolation spectroscopy of metal atoms generated by laser ablation. II. The Li/Ne, Li/D2, and Li/H2 systems

5. Spectroscopy and reactive dynamics of atoms trapped in molecular hydrogen matrices

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