Abstract
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) |
|---|---|
| Pages (from-to) | 170-178 |
| Number of pages | 9 |
| Journal | Arkivoc |
| Volume | 2003 |
| Issue number | 6 |
| State | Published - Dec 1 2003 |
Keywords
- Ab initio
- Density Functional
- Hypervalent
- Iodine
- Primary Bonding
- Secondary Bonding
- Self-Assembly