Fourier Transform Microwave Spectroscopy of the Hoso Radical

Details Fourier Transform Microwave Spectroscopy of the Hoso Radical Fourier Transform Microwave Spectroscopy of the Hoso Radical

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confewj02l&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Chemical Physics

Radicals And Ions

Scientific paper

Molecules closely-related to SO_2 are of considerable interest because of the important role this triatomic or its surrogates play in the atmospheric and combustion chemistry of sulfur-containing compounds. Previous coupled-cluster quantum chemical calculations of the [HSO_2] potential energy surface conclude that a cis-isomer is the ground state, the trans isomer is a transition state, and that a C2v HSO_2 isomer lies considerably higher in energy (˜ 20 kcal/mol). Using Fourier Transform microwave spectroscopy, the rotational spectrum of the cis-HOSO radical has been precisely characterized for the first time by applying a DC discharge to a mixture of water and sulfur dioxide heavily diluted in neon. The fundamental rotational transition was detected near 17 GHz, in good agreement (within ˜ 1%) of the calculated value derived from the equilibrium structure. Microwave-microwave double resonance techniques have been used to extend the dataset to higher frequencies and to provide confirmation of the spectroscopic assignments.
D. Binns, and P. Marshall, Journal of Chemical Physics 95, 4940, (1991)
B. Napolion, and J. D. Watts, Chemical Physics Letters 421, 562, (2006)

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