Theoretical study of the O(<sup>3</sup>P) + SiH<sub>4</sub> reaction: global potential energy surface, kinetics and dynamics study-Reference-Cited by-同舟云学术

Theoretical study of the O(³P) + SiH₄ reaction: global potential energy surface, kinetics and dynamics study

Published:2022 Issue:16 Volume:24 Page:9735-9742
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rangel C.¹^ORCID,Espinosa-Garcia J.¹^ORCID

Affiliation:

1. Área de Química Física and Instituto de Computación Científica Avanzada, Universidad de Extremadura, 06071 Badajoz, Spain

Abstract

A global potential energy surface based on high-level ab initio calculations describing the O(3P) + SiH4 → HO + SiH3 reaction helps in understanding kinetics and dynamics discrepancies.

Funder

Consejería de Educación y Empleo, Junta de Extremadura

European Regional Development Fund

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/D2CP00524G

Reference36 articles.

1. The SiH4+H→SiH3+H2 reaction: Potential energy surface, rate constants, and kinetic isotope effects

2. Theoretical study of the Cl(2P) + SiH4 reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

3. Global potential energy surface and product pair-correlated distributions for the F(²P) + SiH₄ reaction – comparison with experiments

4. Matrix reactions of silane and oxygen atoms. Infrared spectroscopic evidence for the silanol, silanone, and silanoic and silicic acid molecules

5. Dynamics of hydroxyl production in the reaction of atomic oxygen(3PJ) with silane

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