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Title: Synthesis, molecular structure and TD-DFT studies on N'-(pyridine-2-ylmethylene)acetohydrazide nickel(II) complexes
Authors: Patel, Ram N
Singh, Yogendra Pratap
Singh, Yogendra
Butcher, Raymond J
Keywords: Coordination chemistry;Supramolecular architecture;Schiff bases;Density functional calculations;Nickel
Issue Date: 15-Dec-2015
Publisher: NISCAIR-CSIR, India
Abstract: Nickel(II) complexes of a Schiff base derived from 2-pyridinecarboxyldehyde and acetylhydrazide, viz., [Ni(L)2].(NO3)2.H2O (1) and [Ni(HL)(L)].ClO4.(H2O)2 (2) (where L = N'-(pyridine-2-ylmethylene)acetohydrazide), have been synthesized and characterized by physicochemical techniques as well as by single crystal X-ray structural analysis. The supramolecular architecture in both complexes (1) and (2) are totally guided by complicated H-bondings. The molecular structures and spectral properties of the ligand and the complexes have been explained by DFT and TD-DFT calculations. The electronic excitation energies of these complexes calculated at TD-DFT levels are in agreement with values deduced from the experimental UV-visible spectra.
Page(s): 1459-1465
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.54A(12) [December 2015]

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