Synthesis, X-ray structure and DFT calculation of oxido-vanadium(V) complex with a tridentate Schiff base ligand
- Sheikhshoaie, Iran Department of Chemistry, Shahid Bahonar University, Kerman, Iran
- Ebrahimipour, S. Yousef Department of Chemistry, Shahid Bahonar University, Kerman, Iran
- Crochet, Aurélien FriMat, University of Fribourg, Switzerland
- Fromm, Katharina M. Department of Chemistry, University of Fribourg, Switzerland
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06.07.2013
Published in:
- 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
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- English
- Classification
- Chemistry
- License
- License undefined
- Identifiers
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- RERO DOC 255821
- DOI 10.1007/s11164-013-1317-7
- Persistent URL
- https://folia.unifr.ch/unifr/documents/304303
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