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 language||English (US)|
|Number of pages||9|
|State||Published - Dec 1 2003|
- Ab initio
- Density Functional
- Primary Bonding
- Secondary Bonding