Theoretical Investigation of Halogen-Oxygen Bonding and Its Implications in Halogen Chemistry and Reactivity. (21st May 2007)

• Record Type: Journal Article
• Authors: Kosmas, Agnie Mylona
• Other Names: Tsipis Konstantinos Academic Editor.
• Is Part Of: Bioinorganic chemistry and applications. Volume 2007(2007)
• Publication Date: 2007-05-21
• Subjects: Bioinorganic chemistry -- Periodicals; Bioinorganic chemistry; Biochemistry; Inorganic Chemistry; Chemistry, Bioinorganic; Periodicals; 572.51
• DOI: 10.1155/2007/46393
• Languages: English
• ISSNs: 1565-3633

Abstract

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, CH 3, 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.