Mechanistic study of the complex photooxidation of allyl methyl sulfide (AMS): reaction paths and products of addition under different atmospheric conditions-Reference-Cited by-同舟云学术

Mechanistic study of the complex photooxidation of allyl methyl sulfide (AMS): reaction paths and products of addition under different atmospheric conditions

Published:2023 Issue:7 Volume:3 Page:1075-1089
ISSN:2634-3606
Container-title:Environmental Science: Atmospheres
language:en
Short-container-title:Environ. Sci.: Atmos.

Author:

Cardona Alejandro L.¹^ORCID,Blanco María B.¹,Teruel Mariano A.¹,Ventura Oscar N.²^ORCID

Affiliation:

1. (L.U.Q.C.A), Laboratorio Universitario de Química y Contaminación del Aire, Instituto de Investigaciones en Fisicoquímica de Córdoba (INFIQC), CONICET, Dpto. de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba, Argentina

2. Computational Chemistry and Biology Group (CCBG), Detema, Facultad de Química, Universidad de la República, Montevideo, Uruguay

Abstract

The addition mechanism of the OH-initiated oxidation of allyl methyl sulfide (AMS) under atmospheric conditions was studied theoretically using both density functional theory (DFT) and the SVECV-f12 composite method.

Funder

Alexander von Humboldt-Stiftung

Consejo Nacional de Investigaciones Científicas y Técnicas

Fondo para la Investigación Científica y Tecnológica

Agencia Nacional de Investigación e Innovación

Comisión Sectorial de Investigación Científica

Secretaria de Ciencia y Tecnica, Universidad de Buenos Aires

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Environmental Chemistry,Chemistry (miscellaneous),Analytical Chemistry

Link