Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br center dot center dot center dot Br and type II Br center dot center dot center dot Cl interactions

Pavan, Mysore S and Row, Tayur Guru N (2016) Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br center dot center dot center dot Br and type II Br center dot center dot center dot Cl interactions. In: JOURNAL OF CHEMICAL SCIENCES, 128 (10). pp. 1579-1587.

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Abstract

The crystal structure of 4-bromo-2-chlorobenzoic acid generates an unusual triangular motif consisting of a hitherto uncharacterized Type I Brai-Br contact along with two Type II Brai-Cl interactions as edges of the triangle. The nature of such bonding is analyzed based on both experimental and theoretical charge density followed by topological analysis.

Item Type:	Journal Article
Publication:	JOURNAL OF CHEMICAL SCIENCES
Additional Information:	Copy right for this article belongs to the INDIAN ACAD SCIENCES, C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	07 Dec 2016 05:08
Last Modified:	07 Dec 2016 05:08
URI:	http://eprints.iisc.ac.in/id/eprint/55481

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