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)]·PF6 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)]·PF6 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.

Center for Energy and Environment School of Advanced Sciences KLE Technological University Hubballi 580 031 India; University Center for Research and Development Chandigarh University Gharuan Mohali 140413 Punjab India

Department of Chemical Engineering University of Bonab P O Box 5551395133 Bonab Iran

Department of Chemistry Firoozabad Branch Islamic Azad University Firoozabad Iran

Department of Chemistry University of Sistan and Baluchestan Zahedan P O Box 98135 674 Iran

Department of Pharmaceutics School of Pharmacy Mashhad University of Medical Sciences Mashhad Iran

Global Institute for Water Environment and Health 1201 Geneva Switzerland

Institute of Physics Academy of Sciences of the Czech Republic Na Slovance 2 182 21 Praha 8 Czech Republic

Renewable Energies Research Laboratory Department of Chemistry Faculty of Science University of Sistan and Baluchestan P O Box 98135 674 Zahedan Iran

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