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Spectroscopic Determination of an Anion−π Bond Strength
- Source :
- Journal of the American Chemical Society; April 2019, Vol. 141 Issue: 15 p6132-6135, 4p
- Publication Year :
- 2019
-
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.
Details
- Language :
- English
- ISSN :
- 00027863 and 15205126
- Volume :
- 141
- Issue :
- 15
- Database :
- Supplemental Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Periodical
- Accession number :
- ejs49700572
- Full Text :
- https://doi.org/10.1021/jacs.9b01345