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

0585118 - FZÚ 2025 RIV NL eng J - Journal Article
Zinatloo-Ajabshir, S. - Rakhshani, Sa. - Mehrabadi, Z. - Farsadrooh, M. - Feizi-Dehnayebi, M. - Rakhshani, S. - Dušek, Michal - Eigner, Václav - Rtimi, S. - Aminabhavi, T.M.
Novel rod-like [Cu(phen)₂(OAc)]·PF₆ complex for high-performance visible-light-driven photocatalytic degradation of hazardous organic dyes: DFT approach, Hirshfeld and fingerprint plot analysis.
Journal of Environmental Management. Roč. 350, Jan (2024), č. článku 119545. ISSN 0301-4797. E-ISSN 1095-8630
R&D Projects: GA MŠMT LM2023051
Institutional support: RVO:68378271
Keywords : photocatalytic degradation * organic pollutants * visible light * DFT calculation * band gap engineering * molecular electrostatic potential
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 8.7, year: 2022

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.
Permanent Link: https://hdl.handle.net/11104/0352850