Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations.

Calixarenes Cations Phenols Quantum Theory Silicon Dioxide
Azo-methoxy-calix[4]arene Binding energies Chemical sensor Hirshfeld surface (HS) analysis MEP NCI-RDG QTAIM SEM

Journal

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533

Informations de publication

Date de publication:
05 Jan 2022
Historique:
received: 25 02 2021
revised: 15 07 2021
accepted: 27 07 2021
pubmed: 7 8 2021
medline: 27 10 2021
entrez: 6 8 2021
Statut: ppublish

Résumé

In this work, the structures, quantum chemical descriptors, morphologic characterization of the azo-methoxy-calix[4]arene were investigated. The analyses and interpretation of the theoretical and the experimental IR spectroscopy results for the corresponding compounds was performed. The complexation of the azo-methoxy-calix[4]arene with Zn

Identifiants

DOI: 10.1016/j.saa.2021.120242 PMID: 34358783
pubmed: 34358783
pii: S1386-1425(21)00819-2
doi: 10.1016/j.saa.2021.120242
pii:
doi:

Substances chimiques

Cations 0
Phenols 0
calix(4)arene 0
Calixarenes 130036-26-9
Silicon Dioxide 7631-86-9

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

120242

Informations de copyright

Copyright © 2021 Elsevier B.V. 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.

Auteurs

B Gassoumi (B)

Laboratory of Advanced Materials and Interfaces (LIMA), University of Monastir, Faculty of Science of Monastir,Avenue of Environnment, 5000 Monastir, Tunisia. Electronic address: gassoumibouzid2016@gmail.com.

M Echabaane (M)

Laboratory of Advanced Materials and Interfaces (LIMA), University of Monastir, Faculty of Science of Monastir,Avenue of Environnment, 5000 Monastir, Tunisia; NANOMISENE Lab, LR16CRMN01, Centre for Research on Microelectronics and Nanotechnology CRMN of Technopark of Sousse, B.P. 334, Sahloul, 4034 Sousse, Tunisia.

F E Ben Mohamed (FE)

Department of Physics, Faculty of Arts and Sciences of AlMikhwah, Al-BAHA University, Al Baha, Saudi Arabia.

L Nouar (L)

Computational Chemistry and Nanostructures Laboratory, Department of Science matter, faculty of mathematics, computer science and material sciences, University on May 08, 1945, Guelma, Algeria. Electronic address: leilanoua@yahoo.fr.

F Madi (F)

Computational Chemistry and Nanostructures Laboratory, Department of Science matter, faculty of mathematics, computer science and material sciences, University on May 08, 1945, Guelma, Algeria.

A Karayel (A)

Department of Physics, Faculty of Arts and Sciences, Hitit University, Çorum, Turkey.

H Ghalla (H)

Quantum and Statistical Physics Laboratory, Faculty of Science, University of Monastir, 5079 Monastir, Tunisia.

M E Castro (ME)

Centro de Química del Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, 18 sur y Av. San, Claudio, Col. San Manuel Puebla C. P. 72570 Mexico.

F J Melendez (FJ)

Lab. de Química Teórica, Centro de Investigación, Depto. de Fisicoquímica, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Edif. FCQ10, 22 Sur y San Claudio, Ciudad Universitaria, Col. San Manuel, C.P 72570. Puebla, Puebla, Mexico.

S Özkınalı (S)

Department of Chemistry, Faculty of Arts and Sciences, Hitit University, Çorum, Turkey.

A Rouis (A)

Laboratory of Advanced Materials and Interfaces (LIMA), University of Monastir, Faculty of Science of Monastir,Avenue of Environnment, 5000 Monastir, Tunisia.

R Ben Chaabane (R)

Laboratory of Advanced Materials and Interfaces (LIMA), University of Monastir, Faculty of Science of Monastir,Avenue of Environnment, 5000 Monastir, Tunisia. Electronic address: rafik.benchaabane@fsm.rnu.tn.

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Classifications MeSH

questionsmedicales.fr › Composés polycycliques › Composés macrocycliques › Calixarènes › Azo-methoxy-calix[4]arene complexes with metal...
questionsmedicales.fr › Produits chimiques inorganiques › Électrolytes › Ions › Cations › Azo-methoxy-calix[4]arene complexes with metal...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures aromatiques › Dérivés du benzène › Phénols › Azo-methoxy-calix[4]arene complexes with metal...
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Azo-methoxy-calix[4]arene complexes with metal...
questionsmedicales.fr › Produits chimiques inorganiques › Composés du silicium › Silice › Azo-methoxy-calix[4]arene complexes with metal...