Synthesis, crystal structure and DFT calculations of octahedral nickel(II) complexes derived from N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide

The two new nickel(II) complexes, [Ni(HL)(L)](NO 3 )∙H 2 O (1) and [Ni(L) 2 ] (2) (where HL/L = N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide), have been synthesized and characterized by elemental analysis, spectroscopic, magnetic susceptibility, and cyclic voltammetric measurements. Single...

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Published inJournal of coordination chemistry Vol. 69; no. 15; pp. 2377 - 2390
Main Authors Patel, Ram N., Singh, Yogendra, Singh, Yogendra Pratap, Butcher, Raymond J.
Format Journal Article
LanguageEnglish
Published Abingdon Taylor & Francis 02.08.2016
Taylor & Francis Ltd
Subjects
Coordination compounds
Crystal structure
Distortion
electrochemistry
Ligands
Magnetic permeability
Mathematical analysis
Nickel(II) complexes
Spectra
superoxide dismutase (SOD) activity
TD-DFT calculations
X-rays
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Summary:The two new nickel(II) complexes, [Ni(HL)(L)](NO 3 )∙H 2 O (1) and [Ni(L) 2 ] (2) (where HL/L = N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide), have been synthesized and characterized by elemental analysis, spectroscopic, magnetic susceptibility, and cyclic voltammetric measurements. Single-crystal X-ray analysis of [Ni(HL)(L)](NO 3 )∙H 2 O (1) and [Ni(L) 2 ] (2) has revealed the presence of a distorted octahedral geometry around nickel(II). The X-ray and spectral characterizations have confirmed the existence of the keto-enol form of the ligands in the complexes. The electronic structures and spectral properties of the ligands and the complexes have been explained by DFT and TDDFT calculations. Superoxide dismutase activity of these complexes has also been measured.
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ISSN:0095-8972
1029-0389
DOI:10.1080/00958972.2016.1189543