Spectroscopic and Theoretical Determination of Accurate CH/π Interaction Energies in Benzene-Hydrocarbon Clusters.

Details Spectroscopic and Theoretical Determination of Accurate CH/π Interaction Energies in Benzene-Hydrocarbon Clusters. Spectroscopic and Theoretical Determination of Accurate CH/π Interaction Energies in Benzene-Hydrocarbon Clusters.

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confemg15f&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Physics

Electronic (Uv/Vis/Nir)

Scientific paper

Accurate interaction energies in benzene-X clusters (X=ethane, propane, n-butane, and cyclohexane) were determined by two-color two-photon ionization spectroscopy. The experimental interaction energies agree well with those evaluated by high precision ab initio calculations at the CCSD(T)(basis set limit) level. The magnitude of the interaction energy is proportional to the averaged polarizability of the hydrocarbon moiety, indicating that the CH/π interaction is dominated by the dispersion force.

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