Intermolecular Hydrogen-Bonded Interactions of Oxalic Acid Conformers with Sulfuric Acid and Ammonia.
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
15 Oct 2024
15 Oct 2024
Historique:
received:
07
07
2024
revised:
17
09
2024
accepted:
20
09
2024
medline:
21
10
2024
pubmed:
21
10
2024
entrez:
21
10
2024
Statut:
epublish
Résumé
Oxalic acid is one of the simplest naturally occurring dicarboxylic acids that is abundantly found in the atmosphere, and it has several stable structural conformers. Hydrogen-bonded interactions of oxalic acid with other atmospheric molecules are important, as they might influence the chemical composition of the atmosphere, thereby impacting atmospheric chemistry and environmental processes. In this work, we used density functional calculations with the M06-2
Identifiants
pubmed: 39431103
doi: 10.1021/acsomega.4c06290
pmc: PMC11483408
doi:
Types de publication
Journal Article
Langues
eng
Pagination
42470-42487Informations de copyright
© 2024 The Authors. Published by American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.