Synthesis, crystal structure and DFT calculations of octahedral nickel(II) complexes derived from N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide. Issue 15 (2nd August 2016)

• Record Type: Journal Article
• Authors: Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Butcher, Raymond J.
• Is Part Of: Journal of coordination chemistry. Volume 69:Issue 15(2016)
• Page Start: 2377
• Page End: 2390
• Publication Date: 2016-08-02
• Subjects: Nickel(II) complexes -- crystal structure -- TD-DFT calculations -- electrochemistry -- superoxide dismutase (SOD) activity; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2016.1189543
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: The two new nickel(II) complexes, [Ni(HL)(L)](NO3 )∙H2 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)](NO3 )∙H2 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. Abstract :