Abstract
The nature and characteristics of the intermolecular OC⋯OC π-hole tetrel bond in the solid state have been explored and the driving force for tetrel bond formation is the electrostatically driven π-hole interaction between the most electropositive carbon atom of the carbonyl group and the most electronegative oxygen atom in the crystal. NBO calculations establish the n → π∗ orbital interaction present and CSD analysis quantitatively establishes the Bürgi-Dunitz angle to be ∼97.7° driven via tetrel bond formation.
| Original language | English |
|---|---|
| Pages (from-to) | 3308-3312 |
| Number of pages | 5 |
| Journal | CrystEngComm |
| Volume | 20 |
| Issue number | 24 |
| DOIs | |
| State | Published - 1 Jan 2018 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics