Abstract
The anion-π bond has emerged as an important nonvalence interaction in supramolecular and biological structure. Although recognized as a strong noncovalent interaction, driven by electrostatic charge-quadrupole moment and correlation interactions, benchmark experimental and computational studies on the intrinsic anion-π bond strength are scarce. Here, we present a gas-phase photoelectron spectroscopic study on the archetypical iodide-hexafluorobenzene anion-π bonded complex. In combination with high-level electronic structure calculations, the anion-π bond strength is found to be 0.53 eV (51 kJ mol-1). The interaction arises for a large part from correlation forces (∼40%), with electrostatic quadrupole-anion and polarization making up most of the remainder.
| Original language | English |
|---|---|
| Pages (from-to) | 6132-6135 |
| Number of pages | 4 |
| Journal | Journal of the American Chemical Society |
| Volume | 141 |
| Issue number | 15 |
| Early online date | 2 Apr 2019 |
| DOIs | |
| Publication status | Published - 17 Apr 2019 |
Keywords
- Anions/chemistry
- Fluorocarbons/chemistry
- Hydrogen Bonding
- Iodides/chemistry
- Macromolecular Substances/chemistry
- Photoelectron Spectroscopy
- Static Electricity