Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1148, Issue -, Pages 238-246Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2017.07.032
Keywords
Metal complexes; Crystallography electrochemistry; Quantum chemical calculations (DFT)
Categories
Funding
- MESRS (Algeria)
- DGRSDT (Algeria)
- PSMN (Pole Scientifique de Modelisation Numerique) computing center at Lyon, France
Ask authors/readers for more resources
New tetradentate mononuclear nickel(II) [NI] and pentadentate binuclear copper(II) [Cu2L2H2O], H2O Schiff base complexes have been synthesized. The crystal structures of [NiL] and [Cu2L2H2O], H2O have been determined by X-ray diffraction method showing distorted square.,planar geometry for [NiL] and distorted tetragonal pyramid geometry for [Cu2L2H2O], H2O. In both complexes, the dehydroacetic acid functional group engages in a deprotonated manner and coordination occurs through the nitrogen atoms of the imine function and the phenolic oxygen. Density Functional Theory calculations are carried out for the determination of the optimized structures. The fundamental vibrational wave numbers are calculated and a good agreement between observed and calculated wave numbers is achieved. (C) 2017 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available