Issue 14, 2021

Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes

Abstract

Two new zinc(II) complexes, [{N(CN)2}Zn(L1)Zn{μ-1,5-N(CN)2}]2 (1) and [{μ-1,5-N(CN)2}{N(CN)2}Zn(L2)Zn{μ-1,5-N(CN)2}]n (2) {H2L1 = 2,2′-[(2,2-dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[6-methoxyphenol] and H2L2 = 2,2′-[(2,2-dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[6-ethoxyphenol]} have been synthesized and characterized. The structures of both complexes have been confirmed by X-ray crystallography. A subtle difference in the aromatic ring of the Schiff base ligand (6-ethoxy in H2L2 and 6-methoxy in H1L1) has a strong influence on the final solid state structure. In addition, the O-atom of the methoxy groups in 1 forms stronger intramolecular spodium bonds with Zn(II) than the O-atom of the ethoxy group in 2. This has been analysed using density functional theory (DFT) calculations and a combination of the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) plot index computational tools.

Graphical abstract: Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes

Supplementary files

Article information

Article type
Paper
Submitted
13 Feb 2021
Accepted
08 Mar 2021
First published
09 Mar 2021

CrystEngComm, 2021,23, 2703-2710

Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(II) Schiff base complexes

T. Basak, R. M. Gomila, A. Frontera and S. Chattopadhyay, CrystEngComm, 2021, 23, 2703 DOI: 10.1039/D1CE00214G

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