Issue 18, 2021

On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand

Abstract

The synthesis and X-ray characterization of a new dinuclear Zn complex using a tetradentate N2O2 donor Schiff base and azide as an anionic co-ligand of formula [(DMSO)2ZnL(μ1,1-N3)Zn(N3)2] (1) are reported herein. This complex forms self-assembled dimers in the solid state governed by σ-hole tetrel bonding interactions (C⋯N) involving the Zn-coordinated methoxy group. The σ-hole tetrel bonding interaction has been differentiated from a trifurcated CH3⋯N H-bonding interaction using the NBO analysis and the inspection of the donor–acceptor orbital interactions. Other interactions (like π-stacking) are also important governing the solid state architecture of the dinuclear Zn-complex. The energy of π-stacking interaction has also been estimated using DFT calculations and several computational tools (MEP surfaces, QTAIM and NCI plot analyses).

Graphical abstract: On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand

Supplementary files

Article information

Article type
Paper
Submitted
22 Dec 2020
Accepted
20 Mar 2021
First published
22 Mar 2021

CrystEngComm, 2021,23, 3391-3397

On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand

I. Mondal, A. Frontera and S. Chattopadhyay, CrystEngComm, 2021, 23, 3391 DOI: 10.1039/D0CE01864C

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