Proton Between Benzene and Water: Infrared Spectroscopy to Model Interactions at the Oil-Water Interface

Details Proton Between Benzene and Water: Infrared Spectroscopy to Model Interactions at the Oil-Water Interface Proton Between Benzene and Water: Infrared Spectroscopy to Model Interactions at the Oil-Water Interface

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confetb04b&link_type=abstract

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

Biology

Quantitative Biology

Biomolecules

Mini-Symposium: Biomolecules And Cluster Ions

Scientific paper

The proton affinity of benzene is slightly higher (753.6 kJ/mol) than the proton affinity of water (693.8 kJ/mol) in the isolated gas phase. It is then natural to ask about the location of the proton in the protonated benzene -water complex. Another important question is the effect of solvation on proton accommodation on this system. As benzene is non-polar and water is polar, these kinds of complexes are ideal systems to model molecular interaction at the hydrophobic-hydrophilic interface. In our lab, protonated benzene-water complexes are produced via pulsed discharge in a supersonic expansion cluster source. The cold, mass selected ions are investigated via infrared photodissociation spectroscopy in the range of 1000-4000 cm -1. Quantum mechanical calculations were further implemented to obtain the structures and vibrational frequencies. Infrared spectra of the protonated (benzene)_m-(water)_n complexes will be discussed, where m=1-2 and n=1-4.

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