Theoretical Investigation of Halogen-Oxygen Bonding and Its Implications in Halogen Chemistry and Reactivity

Kosmas, Agnie Mylona

doi:https://doi.org/10.1155/2007/46393

Bioinorganic Chemistry and Applications

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Research Article | Open Access

Volume 2007 | Article ID 046393 | https://doi.org/10.1155/2007/46393

Theoretical Investigation of Halogen-Oxygen Bonding and Its Implications in Halogen Chemistry and Reactivity

Agnie Mylona Kosmas¹

Academic Editor: Konstantinos Tsipis

Received27 Sept 2006

Revised18 Jan 2007

Accepted29 Mar 2007

Published21 May 2007

Abstract

Trends in the properties of normal valent and multivalent halogen-oxygen bonding are examined for the isomers of the halogen polyoxide families of the types (YXO2) and (YXO3), Y=Cl, Br, I, H, CH3, X=Cl, Br, I. A qualitative model is formulated on the relationship between the X-O bond distance variations, the ionic character of the bonding, and the degree of halogen valence. The relative stability and enthalpy of formation of each species are also suggested to correlate with the ionic nature of the X-O bonding and the electrostatic character of the Y, YO fragments. In the model presented, halogen hypervalence is interpreted to be the result of partial p→d promotion of lone-pair valence electrons followed by the formation of two, four, or six additional pd hybrid bonds around the halogen atom.

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Copyright © 2007 Agnie Mylona Kosmas. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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