New copper(II) and vanadium(IV) complexes based on allylamine-derived Schiff base ligand; synthesis, crystal structure, electrochemical properties and DFT calculations

作者: Armaghan Behnam Deilami , Mehdi Salehi , Ahmad Amiri , Ali Arab

DOI: 10.1016/J.MOLSTRUC.2018.12.031

关键词: VanadiumChemistryCrystallographyDenticitySingle crystalMetal ions in aqueous solutionCrystal structureNatural bond orbitalSchiff baseLigand

摘要: Abstract Two new Schiff base complexes, CuL2 (1) and [VOL2]n (2), were synthesized from the reaction of CuCl2·2H2O VO(acac)2 with a bidentate NO-donor ligand (HL: 5-bromo-2-((allylimino)methyl)phenol). These two complexes characterized by elemental analysis, FT-IR, UV–Vis, X-ray diffraction techniques. The single crystal analysis demonstrated four-coordinated complex nitrogen phenolate atoms. In coordination environment around vanadium ion is distorted octahedral. addition, DFT calculations electrochemical behavior studies done in this work. nature interaction between metal ions ligands was investigated using employing NBO analyses. electrochemistry showed metal-centered reduction peak corresponding to CuII/I VIV/ III at −0.86 V and −1.51 V, respectively.

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