Published in

International Union of Crystallography, Acta Crystallographica Section A: Foundations and Advances, a1(71), p. s123-s123, 2015

DOI: 10.1107/s2053273315098216

American Chemical Society, Crystal Growth and Design, 7(15), p. 3271-3279, 2015

DOI: 10.1021/acs.cgd.5b00402

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Halogen Bonding in Host–Guest Compounds: Structures and Kinetics of Enclathration and Desolvation

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The host compounds tetrakis-(4-bromophenyl) ethylene and its iodo-analogue form inclusion compounds with a series of chloro- and iodo-methanes. Their structures have been elucidated and their non-bonded halogen∙∙∙halogen contacts analysed and classified. Their kinetics of desolvation have been studied and the concomitant activation energies established. Five of then clathrates are isostructural and display similar activation energies of desolvation, thus correlating structure and function. The velocity of the enclathration for the solid host-methyl iodide vapour reactions and associated rate law have been established.