A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods-Reference-Cited by-同舟云学术

A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods

Published:2023 Issue:6 Volume:25 Page:4780-4793
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rhyman Lydia¹²^ORCID,Lee Edmond P. F.³,Ramasami Ponnadurai¹²,Dyke John M.³^ORCID

Affiliation:

1. Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, 80837, Mauritius

2. Centre For Natural Product Research, Department of Chemical Sciences, University of Johannesburg, Doornfontein, Johannesburg, 2028, South Africa

3. School of Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, UK

Abstract

The figure shows the TS, formed from DMS·H2O + Cl, that corresponds to the pathway with the largest rate coefficient in the presence of water.

Funder

Mauritius Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05814F

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