title: The I=X (X=O,N,C) double bond in hypervalent iodine compounds: is it real?
abstract: IX (X=O, N, C) bonding was analyzed in the related hypervalent iodine compounds based on the adaptive natural density partitioning (AdNDP) approach. The results confirm the presence of a I→X σ dative bond, as opposed to the widely used IX notation. A clear formulation of the electronic structure of these hypervalent iodine compounds would be useful in establishing reaction mechanisms and electronic structures in bioinorganic problems of general applicability.
authors.affiliation: Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322 (USA).
authors.forename: Alexander S
authors.initials: AS
authors.lastname: Ivanov
authors.forename: Ivan A
authors.initials: IA
authors.lastname: Popov
authors.forename: Alexander I
authors.initials: AI
authors.lastname: Boldyrev
authors.forename: Viktor V
authors.initials: VV
authors.lastname: Zhdankin
keywords: chemical bonding; computational chemistry; electronic structure; hypervalent compounds; iodine