| Literature DB >> 25045143 |
Alexander S Ivanov1, Ivan A Popov, Alexander I Boldyrev, Viktor V Zhdankin.
Abstract
IX (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 IX 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.Entities:
Keywords: chemical bonding; computational chemistry; electronic structure; hypervalent compounds; iodine
Year: 2014 PMID: 25045143 DOI: 10.1002/anie.201405142
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336