Synthesis, characterization and self assembly of dinuclear zinc Schiff base complexes: A combined experimental and theoretical study

Basak, T and Roy, S and Banerjee, S and Gomila, RM and Frontera, A and Chattopadhyay, S (2022) Synthesis, characterization and self assembly of dinuclear zinc Schiff base complexes: A combined experimental and theoretical study. In: Polyhedron, 225 .

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Abstract

Two new dinuclear zinc(II) complexes, [(DMSO)Zn(L1)Zn(NCS)2] (1) and [ClZn(L2)ZnCl(H2O)]∙2CH3OH (2), using two different Schiff base ligands, {H2L1 = 2,2′-[(2,2-Dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[4-bromo-6-methoxyphenol] and H2L2 = 2,2′-[(2,2-Dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[6-ethoxyphenol]}, have been synthesized and characterized by different spectroscopic techniques. The structure guiding non-covalent interactions observed in the solid-state structure of both complexes have been analyzed using DFT calculations, MEP surface analysis, and QTAIM/NCIplot computational tools. The differences in the crystal packing and non-covalent interactions have also been studied using hirshfeld surface analyses and energy frameworks.

Item Type:	Journal Article
Publication:	Polyhedron
Publisher:	Elsevier Ltd
Additional Information:	The copyright for this article belongs to the Elsevier Ltd.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	22 Aug 2022 11:59
Last Modified:	22 Aug 2022 11:59
URI:	https://eprints.iisc.ac.in/id/eprint/76147

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