Observation of an anion⋯anion interaction in a square planar copper(II) Schiff base complex: DFT study and CSD analysis

Add time:07/27/2019    Source:sciencedirect.com

A centrosymmetric square planar bis-ligand copper(II) complex, [Cu(HL)2](ClO4)2, with a potential tetradentate Schiff base, HL = 2-(2-(ethylamino)ethyliminomethyl)-6-ethoxyphenol, containing pendant side arm, has been prepared and characterized by elemental and spectral analysis and single crystal X-ray diffraction studies. The potential tetradentate Schiff base is trapped in its zwitterionic form and shows a bidentate bonding mode. Several weak forces like hydrogen bonding and CH∙∙∙π interactions lead to the formation of supra-molecular architecture. The existence of an anion⋯anion interaction between the perchlorate anions have been analyzed using DFT calculations, the Bader’s theory of atoms-in-molecules (AIM) and the non-covalent interaction index (NCI plot). The O⋯O distance is 2.848(2) Å.

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