Issue 48, 2021, Issue in Progress
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RSC Advances

Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions†

Tanmoy Basak,a   Antonio Frontera ORCID logo b  and  Shouvik Chattopadhyay ORCID logo *a  

* Corresponding authors

a Department of Chemistry, Inorganic Section, Jadavpur University, Kolkata-700032, India
E-mail: shouvik.chem@gmail.com

b Departamento de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma, Baleares, Spain

Abstract

A zinc(II) complex, [ZnL(H2O)]·H2O {H2L = 2,2′-[(2,2-dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[6-ethoxyphenol]} has been synthesized and characterized by UV-vis and IR spectroscopy. The structure of the complex has been confirmed by X-ray crystallography and the noncovalent interactions characterized using Hirshfeld surface analysis. In addition to the conventional H-bonds involving the Zn-coordinated and non-coordinated water molecules, interesting C–H⋯π interactions between the H-atoms belonging to aliphatic part of the ligand (2,2-dimethyl-1,3-propanediyl) and the Zn-coordinated aromatic rings are established. These interactions have been studied using DFT calculations (PBE0-D3/def2-TZVP) and characterized using molecular electrostatic potential (MEP) surfaces and the noncovalent interaction (NCI) plot index analyses.

Graphical abstract: Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions

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Article information

DOI
https://doi.org/10.1039/D1RA03943A
Article type
Paper
Submitted
20 May 2021
Accepted
24 Aug 2021
First published
09 Sep 2021
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2021,11, 30148-30155

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Synthesis and characterization of a mononuclear zinc(II) Schiff base complex: on the importance of C–H⋯π interactions

T. Basak, A. Frontera and S. Chattopadhyay, RSC Adv., 2021, 11, 30148 DOI: 10.1039/D1RA03943A

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