A global CHIPR potential energy surface of PH2(X2B1) via extrapolation to the complete basis set limit and the dynamics of P(2D) + H2(X1Σ+g) → PH(X3Σ−) + H(2S)-Reference-Cited by-同舟云学术

A global CHIPR potential energy surface of PH₂(X²B₁) via extrapolation to the complete basis set limit and the dynamics of P(²D) + H₂(X¹Σ+g) → PH(X³Σ⁻) + H(²S)

Published:2022 Issue:32 Volume:24 Page:19371-19381
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chen Guangan¹^ORCID,Qin Zhi¹²^ORCID,Li Jing³,Liu Linhua¹²⁴^ORCID

Affiliation:

1. School of Energy and Power Engineering, Shandong University, 250061, Jinan, China

2. Optics and Thermal Radiation Research Center, Institute of Frontier and Interdisciplinary Science, Shandong University, 266237, Qingdao, China

3. School of Physics and Physical Engineering, Qufu Normal University, 273165, Qufu, China

4. School of Energy Science and Engineering, Harbin Institute of Technology, 150001, Harbin, China

Abstract

A global PEC of the ground state PH2 was constructed using the CHIPR method based on accurate MRCI(Q)/CBS(T, Q) energy points. The ICS and k(T) of P(2D) + H2(X1Σ+g) → PH(X3Σ−) + H(2S) were calculated based on the QCT method.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shandong Province

China Postdoctoral Science Foundation

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/D2CP02690B

Reference69 articles.

1. The composition of Saturn's atmosphere at northern temperate latitudes from Voyager IRIS spectra - NH3, PH3, C2H2, C2H6, CH3D, CH4, and the Saturnian D/H isotopic ratio