New task-specific ionic liquids based on phenyl diazenyl methyl pyridinium cation: Energetic, electronic and optical properties exploration based on DFT calculations.
Electrochemical window
M06-2X-GD3 functional
Methyl pyridinium cation
Substituent effects
Task-specific ILs
Journal
Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237
Informations de publication
Date de publication:
Jan 2023
Jan 2023
Historique:
received:
24
07
2022
revised:
18
09
2022
accepted:
27
09
2022
pubmed:
16
10
2022
medline:
16
10
2022
entrez:
15
10
2022
Statut:
ppublish
Résumé
Physicochemical properties of the three series of task-specific ILs formed from methyl pyridinium [MPy]
Identifiants
pubmed: 36242864
pii: S1093-3263(22)00231-5
doi: 10.1016/j.jmgm.2022.108352
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
108352Informations de copyright
Copyright © 2022 Elsevier Inc. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.