The I=X (X=O,N,C) double bond in hypervalent iodine compounds: is it real?

Authors :: Ivanov AS
Popov IA
Boldyrev AI
Zhdankin VV
Source :: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2014 Sep 01; Vol. 53 (36), pp. 9617-21. Date of Electronic Publication: 2014 Jul 09.
Publication Year :: 2014
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.<br /> (© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)