On the solubility of azodicarbonamide in water/DMSO mixtures: an experimental and computational study.
UV-Vis spectroscopy
azodicarbonamide
mixtures
molecular dynamics
solubility
Journal
Royal Society open science
ISSN: 2054-5703
Titre abrégé: R Soc Open Sci
Pays: England
ID NLM: 101647528
Informations de publication
Date de publication:
Jun 2024
Jun 2024
Historique:
received:
18
01
2024
accepted:
27
03
2024
medline:
5
8
2024
pubmed:
5
8
2024
entrez:
5
8
2024
Statut:
epublish
Résumé
This work aims at studying why azodicarbonamide (ADCA), a formally apolar compound with good hydrogen bond (HB) acceptors, is soluble only in polar aprotic solvents like dimethyl sulfoxide (DMSO) but not in water. Solubility measurements, as well as quantum mechanical and classical molecular dynamics simulations, were employed to tackle the problem. We found that in the liquid phase a polar conformer of ADCA (
Identifiants
pubmed: 39100163
doi: 10.1098/rsos.231831
pii: rsos231831
pmc: PMC11296043
doi:
Banques de données
figshare
['10.6084/m9.figshare.c.7184017']
Types de publication
Journal Article
Langues
eng
Pagination
231831Informations de copyright
© 2024 The Authors.
Déclaration de conflit d'intérêts
We declare we have no competing interests.