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The IX (X=O,N,C) Double Bond in Hypervalent Iodine Compounds: Is it Real?
Author(s) -
Ivanov Alexander S.,
Popov Ivan A.,
Boldyrev Alexander I.,
Zhdankin Viktor V.
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201405142
Subject(s) - hypervalent molecule , iodine , chemistry , computational chemistry , crystallography , organic chemistry
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.