Strength of π-Stacking, from Neutral to Cation: Precision Measurement of Binding Energies in an Isolated π-Stacked Dimer

Authors

Damian Kokkin, Marquette University
Maxim V. Ivanov, Marquette University
John Loman, Marquette University
Jin-Zhe Cai, Marquette UniversityFollow
Rajendra Rathore, Marquette UniversityFollow
Scott A. Reid, Marquette UniversityFollow

Document Type

Article

Language

eng

Publication Date

2018

Publisher

American Chemical Society

Source Publication

Journal of Physical Chemistry Letters

Source ISSN

1948-7185

Abstract

π-Stacking interactions are ubiquitious across chemistry and biochemistry, impacting areas from organic materials and photovoltaics to biochemistry and DNA. However, experimental data is lacking regarding the strength of π-stacking forces—an issue not settled even for the simplest model system, the isolated benzene dimer. Here, we use two-color appearance potential measurements to determine the binding energies of the isolated, π-stacked dimer of fluorene (C₁₃H₁₀) in ground, excited, and ionic states. Our measurements provide the first precise values for π-stacking interaction energies in these states, which are key benchmarks for theory. Indeed, theoretical predictions using ab initio and carefully benchmarked DFT methods are in excellent agreement with experiment.

Comments

Accepted version. The Journal of Physical Chemistry Letters, Vol. 9, No. 8 (2018): 2058-2061. DOI. © 2018 American Chemical Society. Used with permission.

Recommended Citation

Kokkin, Damian; Ivanov, Maxim V.; Loman, John; Cai, Jin-Zhe; Rathore, Rajendra; and Reid, Scott A., "Strength of π-Stacking, from Neutral to Cation: Precision Measurement of Binding Energies in an Isolated π-Stacked Dimer" (2018). Chemistry Faculty Research and Publications. 875.
https://epublications.marquette.edu/chem_fac/875