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
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

139377

Informations 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.

Auteurs

Hao Li (H)

Guangzhou Customs Technology Center, Guangzhou, 510623, China.

Canyuan Lin (C)

Ministry of Education Key Laboratory of Pollution Control and Ecological Remediation for Industrial Agglomeration Area, College of Environment and Energy, South China University of Technology, Guangzhou, 510006, China.

Ruhui Ma (R)

Ministry of Education Key Laboratory of Pollution Control and Ecological Remediation for Industrial Agglomeration Area, College of Environment and Energy, South China University of Technology, Guangzhou, 510006, China.

Yuancai Chen (Y)

Ministry of Education Key Laboratory of Pollution Control and Ecological Remediation for Industrial Agglomeration Area, College of Environment and Energy, South China University of Technology, Guangzhou, 510006, China. Electronic address: chenyc@scut.edu.cn.

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Classifications MeSH