Self-assembly of hypervalent iodine through primary and secondary bonding

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12 Scopus citations


The self-assembly of two hypervalent iodine compounds to trimers was studied using molecular orbital calculations. The driving force for the self-assembly is the formation of secondary bonding interactions between molecules and in the second case a rearrangement of primary and secondary bonding around iodine to place the least electronegative substitutent in the equatorial position for every iodine in the trimer.

Original languageEnglish (US)
Pages (from-to)170-178
Number of pages9
Issue number6
StatePublished - Dec 1 2003


  • Ab initio
  • Density Functional
  • Hypervalent
  • Iodine
  • Primary Bonding
  • Secondary Bonding
  • Self-Assembly


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