Skip to main content

Research Repository

Advanced Search

Spectroscopic Determination of an Anion-π Bond Strength

Anstöter, Cate S.; Rogers, Joshua P.; Verlet, Jan R.R.

Spectroscopic Determination of an Anion-π Bond Strength Thumbnail


Authors

Cate S. Anstöter

Joshua P. Rogers



Abstract

The anion-π bond has emerged as an important non-valence interaction in supramolecular and biological structure. Although recognized as a strong non-covalent 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.

Citation

Anstöter, C. S., Rogers, J. P., & Verlet, J. R. (2019). Spectroscopic Determination of an Anion-π Bond Strength. Journal of the American Chemical Society, 141(15), 6132-6135. https://doi.org/10.1021/jacs.9b01345

Journal Article Type Article
Online Publication Date Apr 2, 2019
Publication Date Apr 17, 2019
Deposit Date Apr 3, 2019
Publicly Available Date Apr 2, 2020
Journal Journal of the American Chemical Society
Print ISSN 0002-7863
Electronic ISSN 1520-5126
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 141
Issue 15
Pages 6132-6135
DOI https://doi.org/10.1021/jacs.9b01345

Files

Accepted Journal Article (537 Kb)
PDF

Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in the Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/jacs.9b01345




You might also like



Downloadable Citations