MICROWAVE SPECTRA OF O$_2$--HF AND O$_2$--DF AND GLOBAL FITTING WITH IR DATA: INSIGHT INTO THE NATURE OF HYPERFINE INTERACTIONS
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Date
2007
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Ohio State University
Abstract
Understanding intermolecular interactions involving open shell systems is important to both combustion and atmospheric research. In this talk, we present microwave spectra of O$_2$--HF and O$_2$--DF, and analysis of their hyperfine structure. Last year, spectra were reported}$ Symposium on Molecular Spectroscopy} {\bf TE08} (2006)} for six different pure rotational transitions of O$_2$--HF , though at the time, the analysis of the hyperfine structure was still incomplete. A simultaneous fit of microwave and infrared} {\bf117}, 693(2002)} data was also described. In this talk, we report a complete analysis of the hyperfine structure for O$_2$--HF and a new global fit including microwave and infrared frequencies. New assignments for the $F_1$ quantum numbers, together with complete assignment of $F$ quantum numbers has allowed all observed transitions of O$_2$--HF to be fully analyzed with confidence. Calculated spectral intensities are also consistent with experimental observation. The Fermi contact parameters for the two nuclei are found to have opposite signs, consistent with a simple model based on spin polarization. Progress on analysis of magnetic and nuclear quadrupole hyperfine structure in O$_2$--DF and global fit with IR data will be reported. The derived hyperfine parameters unambiguously establish the correspondence between the magnetic hyperfine constants and the two nuclei of the H(D)F.
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Author Institution: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455