An experimental and theoretical study of coinage bond interaction in a copper(II)/potassium(I) Schiff base complex

Roy, S and Halder, B and Gomila, RM and Frontera, A and Drew, MGB and Chattopadhyay, S (2024) An experimental and theoretical study of coinage bond interaction in a copper(II)/potassium(I) Schiff base complex. In: Inorganica Chimica Acta, 573 .

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Abstract

A copper(II)/potassium(I) Schiff base polymeric complex has been synthesized and characterized. Salen-type N2O2O2� donor compartmental Schiff base ligand has been used where copper(II) resides in the inner N2O2 core and potassium (I) sits in the outer O2O2� core. Single crystal X-ray analysis revealed that the unintended formation of a disordered bromine atom led to Cu�Br �-hole coinage bond (CiB) interaction. The energetics regarding the CiB interactions have been rationalized using DFT calculations, QTAIM, and ELF study. © 2024 Elsevier B.V.

Item Type:	Journal Article
Publication:	Inorganica Chimica Acta
Publisher:	Elsevier B.V.
Additional Information:	The copyright for this article belongs to the publisher.
Keywords:	Bromine compounds; Complexation; Potassium compounds; Synthesis (chemical); X ray diffraction analysis, Bond interactions; Coinage bond interaction; Copper(II) schiff base complex; DFT; Polymeric complex; QTAIM; Schiff base complexes; Schiff-base; Synthesised; Theoretical study, Single crystals
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	18 Sep 2024 06:03
Last Modified:	18 Sep 2024 06:03
URI:	http://eprints.iisc.ac.in/id/eprint/86104

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