π-π stack driven competitive /complementary adsorption of aromatic compounds on MIL-53(Al).
Adsorption sites
Aromatic compounds
Density functional theory
Site energy distribution
Journal
Chemosphere
ISSN: 1879-1298
Titre abrégé: Chemosphere
Pays: England
ID NLM: 0320657
Informations de publication
Date de publication:
Oct 2023
Oct 2023
Historique:
received:
15
04
2023
revised:
18
06
2023
accepted:
28
06
2023
medline:
24
7
2023
pubmed:
5
7
2023
entrez:
4
7
2023
Statut:
ppublish
Résumé
In this study, the selective adsorption of aromatic compounds on mesoporous MIL-53(Al) was investigated, and followed the order: Biphenyl (Biph) > Triclosan (TCS) > Bisphenol A (BPA) > Pyrogallol (Pyro) > Catechol (Cate) > Phenol (Phen), and exhibited high selectivity toward TCS in binary compounds. In addition to hydrophobicity and hydrogen bonding, π-π interaction/stacking predominated, and more evidently with double benzene rings. TCS-containing halogens could increase π interaction on the benzene rings via forming Cl-π stacking with MIL-53(Al). Moreover, site energy distribution confirmed that complementary adsorption mainly occurred in the Phen/TCS system, as evidenced by ΔQ
Identifiants
pubmed: 37402425
pii: S0045-6535(23)01644-2
doi: 10.1016/j.chemosphere.2023.139377
pii:
doi:
Substances chimiques
Benzene
J64922108F
bisphenol A
MLT3645I99
Phenols
0
Phenol
339NCG44TV
Triclosan
4NM5039Y5X
Benzhydryl Compounds
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
139377Informations de copyright
Copyright © 2023 Elsevier Ltd. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Yuancai Chen reports was provided by South China University of Technology.