Synthesis, X-ray structure and DFT calculation of oxido-vanadium(V) complex with a tridentate Schiff base ligand

Synthesis, X-ray structure and DFT calculation of oxido-vanadium(V) complex with a tridentate... 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Synthesis, X-ray structure and DFT calculation of oxido-vanadium(V) complex with a tridentate Schiff base ligand

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Publisher
Springer Netherlands
Copyright
Copyright © 2013 by Springer Science+Business Media Dordrecht
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-013-1317-7
Publisher site
See Article on Publisher Site

Abstract

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.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Jul 6, 2013

References

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