Novel rod-like [Cu(phen) 2 (OAc)]·PF 6 complex for high-performance visible-light-driven photocatalytic degradation of hazardous organic dyes: DFT approach, Hirshfeld and fingerprint plot analysis.

Autor: Zinatloo-Ajabshir S; Department of Chemical Engineering, University of Bonab, P.O. Box. 5551395133, Bonab, Iran. Electronic address: s.zinatloo@ubonab.ac.ir., Rakhshani S; Department of Chemistry, University of Sistan and Baluchestan, Zahedan, P.O. Box 98135-674, Iran., Mehrabadi Z; Department of Chemistry, Firoozabad Branch, Islamic Azad University, Firoozabad, Iran., Farsadrooh M; Renewable Energies Research Laboratory, Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P.O. Box 98135 674, Zahedan, Iran. Electronic address: farsadroohmajid@gmail.com., Feizi-Dehnayebi M; Department of Chemistry, University of Sistan and Baluchestan, Zahedan, P.O. Box 98135-674, Iran. Electronic address: M.Feizi@sutech.ac.ir., Rakhshani S; Department of Pharmaceutics, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran., Dušek M; Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21, Praha 8, Czech Republic., Eigner V; Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21, Praha 8, Czech Republic., Rtimi S; Global Institute for Water, Environment and Health, 1201, Geneva, Switzerland. Electronic address: rtimi.sami@gmail.com., Aminabhavi TM; Center for Energy and Environment, School of Advanced Sciences, KLE Technological University, Hubballi, 580 031, India; University Center for Research & Development (UCRO), Chandigarh University, Gharuan, Mohali, 140413, Punjab, India. Electronic address: aminabhavit@gmail.com.
Jazyk: angličtina
Zdroj: Journal of environmental management [J Environ Manage] 2024 Jan 15; Vol. 350, pp. 119545. Date of Electronic Publication: 2023 Nov 22.
DOI: 10.1016/j.jenvman.2023.119545
Abstrakt: A novel octahedral distorted coordination complex was formed from a copper transition metal with a bidentate ligand (1,10-Phenanthroline) and characterized by Ultraviolet-visible spectroscopy, Ultraviolet-visible diffuse reflectance spectroscopy, Fourier-transform infrared spectroscopy, Brunauer-Emmett-Teller, Field emission scanning electron microscopy, and Single-crystal X-ray diffraction. The Hirshfeld surface and fingerprint plot analyses were conducted to determine the interactions between atoms in the Cu(II) complex. DFT calculations showed that the central copper ion and its coordinated atoms have an octahedral geometry. The Molecular electrostatic potential (MEP) map indicated that the copper (II) complex is an electrophilic compound that can interact with negatively charged macromolecules. The HOMO-LUMO analysis demonstrated the π nature charge transfer from acetate to phenanthroline. The band gap of [Cu(phen) 2 (OAc)]·PF 6 photocatalyst was estimated to be 2.88 eV, confirming that this complex is suitable for environmental remediation. The photocatalytic degradation of erythrosine, malachite green, methylene blue, and Eriochrome Black T as model organic pollutants using the prepared complex was investigated under visible light. The [Cu(phen) 2 (OAc)]·PF 6 photocatalyst exhibited degradation 94.7, 90.1, 82.7, and 74.3 % of malachite green, methylene blue, erythrosine, and Eriochrome Black T, respectively, under visible illumination within 70 min. The results from the Langmuir-Hinshelwood kinetic analysis demonstrated that the Cu(II) complex has a higher efficiency for the degradation of cationic pollutants than the anionic ones. This was attributed to surface charge attraction between photocatalyst and cationic dyes promoting removal efficiency. The reusability test indicated that the photocatalyst could be utilized in seven consecutive photocatalytic degradation cycles with an insignificant decrease in efficiency.
Competing Interests: 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.
(Copyright © 2023 Elsevier Ltd. All rights reserved.)
Databáze: MEDLINE
Externí odkaz: