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

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    06.07.2013
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  • Research on Chemical Intermediates. - 2015, vol. 41, no. 4, p. 1881–1891
English 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.
Faculty
Faculté des sciences et de médecine
Department
Département de Chimie
Language
  • English
Classification
Chemistry
License
License undefined
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Persistent URL
https://folia.unifr.ch/unifr/documents/304303
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