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<p>Crystal structure, configurational and DFT study of nickel(II) complexes with N<sub>2</sub>O-donor type Schiff base ligand</p>

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Title Statement <p>Crystal structure, configurational and DFT study of nickel(II) complexes with N<sub>2</sub>O-donor type Schiff base ligand</p>
 
Added Entry - Uncontrolled Name Patel, R N ; APS University Rewa
MP Council of Science & Technology, Bhopal, India, [Scheme No. A/RD/RP-2/2015-16/245]
 
Uncontrolled Index Term Coordination chemistry, Supramolecular architecture, X-ray structures, π…π interactions, C-H…π interactions, UV-visible spectroscopy, TD-DFT calculations, Schiff bases, Nickel
 
Summary, etc. <p>Nickel(II) complexes containing a Schiff base (L) derived from 2-pyridinecarboxyldehyde and 2-furoic hydrazide [Ni(HL)(L)]NO<sub>3</sub> (<strong>1</strong>) and [Ni(L)<sub>2</sub>]4H<sub>2</sub>O<sub> </sub>(<strong>2</strong>) where HL = <em>N</em>'-[(<em>E</em>)-pyridin-2-yl-methylidene]furan-2-carbohydrazide, have been synthesized and comprehensively characterized via physico-chemical techniques as well as by single crystal X-ray structural analysis. In both the complexes, the ligand behaves as mono-anionic tridentate and binds to the nickel(II) ion via deprotonated carbonyl-oxygen, pyridine-nitrogen and azomethine-nitrogen. Magnetic moments and electronic studies suggest an octahedral geometry around nickel(II) ion in both the complexes. The supramolecular architecture in both (<strong>1</strong>) and (<strong>2</strong>)<strong> </strong>are shown by C-H...π and π…π interactions. The molecular structures and spectral properties of 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.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2020-10-19 12:24:06
 
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http://op.niscair.res.in/index.php/IJCA/article/view/16500
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 57, ##issue.no## 1 (2018): INDIAN JOURNAL OF CHEMISTRY- SECTION A
 
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