Synthesis, X-ray structure and DFT calculation of oxido-vanadium(V) complex with a tridentate Schiff base ligand
نویسندگان
چکیده
Reaction of 4-bromo-2-(((5-chloro-2-hydroxyphenyl) imino)methyl) phenol (H2L) with VOSO4 XH2O generates the oxido-vanadium(V) complex [VOL(OCH3)(OHCH3)], that characterized by FT-IR, UV–Vis, and elemental analysis. The complex was also characterized by single crystal X-ray diffraction crystallography. A DFT calculation was carried out on the complex using the B3LYP/ 6-31?G(d,p)method. The agreement between the theoretical and experimental data is good. NBO data shows that the donation from donor atoms to the metal center is greater than back bonding.
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