Theoretical structural and spectroscopic characterization of peroxyacetic acid (CH<sub>3</sub>–CO–OOH): study of the far infrared region-Reference-Cited by-同舟云学术

Theoretical structural and spectroscopic characterization of peroxyacetic acid (CH₃–CO–OOH): study of the far infrared region

Published:2024 Issue:16 Volume:26 Page:12600-12609
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Brahem Sinda¹²³,Missaoui Dorsaf¹²³,Yazidi Ounaies¹,Najar Faouzi¹^ORCID,Senent María Luisa²³^ORCID

Affiliation:

1. Laboratoire de Spectroscopie Atomique Moléculaire et Applications, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092, Tunisia

2. Departamento de Química y Física Teóricas, Instituto de Estructura de la Materia, IEM-CSIC, Serrano 121, Madrid 28006, Spain

3. Unidad Asociada GIFMAN, CSIC-UHU, Spain

Abstract

Peroxyacetic acid, a non-rigid oxygenated organic molecule which acts in the atmosphere as a reservoir of HOX and ROX radicals, is studied using highly correlated ab initio methods with the aim of its spectroscopic characterization in the gas phase.

Funder

H2020 Marie Skłodowska-Curie Actions

Agencia Estatal de Investigación

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05783F

Reference49 articles.

1. Measurements of Peroxides and What They Tell Us

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4. Labile Peroxides in Secondary Organic Aerosol

5. Measurement of Gas-Phase Hydroperoxides by Chemical Ionization Mass Spectrometry

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