Title : ( An integrated experimental and theoretical investigation of the structural and spectroscopic properties of two nickel(II) isothiosemicarbazone complexes )
Authors: Reza Takjoo , PONNADURAI RAMASAMI , ALIREZA HASHEMZADE , LYDIA RHYMAN , HADI AMIRI RUDBARI , GIUSEPPE BRUNO ,
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Abstract
Two nickel(II) isothiosemicarbazone complexes of dianionic 5-bromosalicylaldehyde S-allyl isothiosemicarbazonehydrobromide (H2L.HBr), [Ni(Im)L] and [Ni(2-MeIm)L] (Im: imidazole, 2-MeIm: 2-methylimidazole), were synthesized and characterized by single crystal X-ray crystallography, 1H NMR spectrometry, IR, and electronic spectroscopy. The complexes have square-planar geometry and the ligand is coordinated as a dinegative tridentate chelating agent via phenolic oxygen, isothioamide nitrogen, and azomethine nitrogen atoms. To complement the experimental data, density functional theory (DFT) and time-dependent DFT methods were used to validate the structural parameters and infrared and electronic spectra.
Keywords
Isothiosemicarbazone; Nickel(II) complex; Crystal structure; DFT; TDDFT
@article{paperid:1041979,
author = {Takjoo, Reza and PONNADURAI RAMASAMI and HASHEMZADE, ALIREZA and LYDIA RHYMAN and HADI AMIRI RUDBARI and GIUSEPPE BRUNO},
title = {An integrated experimental and theoretical investigation of the structural and spectroscopic properties of two nickel(II) isothiosemicarbazone complexes},
journal = {Journal of Coordination Chemistry},
year = {2014},
volume = {67},
number = {8},
month = {April},
issn = {0095-8972},
pages = {1392--1404},
numpages = {12},
keywords = {Isothiosemicarbazone; Nickel(II) complex; Crystal structure; DFT; TDDFT},
}
%0 Journal Article
%T An integrated experimental and theoretical investigation of the structural and spectroscopic properties of two nickel(II) isothiosemicarbazone complexes
%A Takjoo, Reza
%A PONNADURAI RAMASAMI
%A HASHEMZADE, ALIREZA
%A LYDIA RHYMAN
%A HADI AMIRI RUDBARI
%A GIUSEPPE BRUNO
%J Journal of Coordination Chemistry
%@ 0095-8972
%D 2014
