Synthesis and Characterization of a Mononuclear Zinc(ii) Schiff Base Complex: on the Importance of C-H⋯π Interactions

Overview

Journal RSC Adv

Publisher Royal Society of Chemistry

Specialty Chemistry

Date 2022 Apr 28

PMID 35480293

Authors

Tanmoy Basak

Antonio Frontera

Shouvik Chattopadhyay

Affiliations

Soon will be listed here.

Abstract

A zinc(ii) complex, [ZnL(HO)]·HO {HL = 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.

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