Octahedral bis(2-thenoyltrifluoroacetonato)-ethylenediamine Co(II), Ni(II) and Cu(II) complexes: Synthetic, structural, electrochemical, and theoretical studies

摘要

Graphical abstractThe three new six-coordinate bis(2-thenoyltrifluoroacetonato)-ethylenediamine Co(II), Ni(II) and Cu(II) complexes adopt a distorted octahedral geometry (pictured), with a significant elongation along the OCuO axis due to Jahn-Teller effect. DFT and TDDFT calculations were performed to optimize geometries, describe electronic structures and interpret the major features of their UV–vis spectra.Display OmittedHighlights?Octahedral bis(2-thenoyltrifluoroacetonato)-ethylenediamine metal(II) complexes.?Characterization by elemental analysis, FTIR and ESI-MS techniques.?X-ray crystal structures of Co, Ni and Cu derivatives.?Geometry optimization and analysis of electronic structure using DFT calculations.?Interpretation of the major features of UV–vis spectra using TDDFT calculations.