INFRARED SPECTROSCOPY OF BENZENE-HCN IN HELIUM-DROPLETS

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2001

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Ohio State University

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Infrared spectra are reported for several (C6H6)m−(HCN)n and (C6D6)m−(HCN)n clusters in liquid helium nanodroplets. A large electric field can be used to collapse the rotational structure in these spectra, which aids in the initial searching. In the 1:1 clusters the HCNνCH stretching vibration at 3253.2cm−1(C6H6HCN) and 3252.9cm−1(C6D6HCN) are red-shifted by approximately 60cm−1 compared to the monomer, indicative of strong intermolecular hydrogen bonds between the CH-group and the aromatic π-clouds of the benzenes. Zero field spectra show considerable rotational structure consistent with a symmetric rotor structure as determined in the gas-phase by microwave spectroscopy.a Moreover several trimers and tetramers of HCN and Benzene have been observed, all of which are further red-shifted than the 1:1 complexes. Pressure-dependency studies allow the size assignments of these clusters. The frequency shifts and rotational contours of the bands allows one to infer the structures of these clusters in liquid helium.

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aH.S. Gutowski, E. Arunan, T. Emilson, S.L. Tschopp, and C.E. Dykstra, J. Chem. Phys. 103(1995), 3917.


Author Institution: University of North Carolina; Department of Chemistry, University of North Carolina

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