# COMPARISONS OF THE STRUCTURE AND SPECTROSCOPY OF THE $M \cdot XH(A^{2}\Sigma^{+}) (M=Ne, Ar, Kr; X = O,S)$ COMPLEXES.

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 Title: COMPARISONS OF THE STRUCTURE AND SPECTROSCOPY OF THE $M \cdot XH(A^{2}\Sigma^{+}) (M=Ne, Ar, Kr; X = O,S)$ COMPLEXES. Creators: Carter, Christopher C.; Miller, Terry A.; Lee, Hee-Seung; McCoy, Anne B. Issue Date: 1999 Publisher: Ohio State University Abstract: Over the past several years we have performed high resolution spectroscopic experiments on the $M \cdot XII(A^{2}\Sigma^{-}) (M=Ne, Ar, Kr; X = O,S)$ family of complexes. Based on these studies, we have fit a set of empirical potential surfaces that reproduce the experimental band origins to within $1 cm^{-1}$ and the rotational constants to within 1\%. In this talk, we will discuss these potentials and the experimental spectroscopic trends in this class of systems. In the case of $Nc - SH$, the most weakly bound of these species with a $D_{0}$ of $41 cm^{-1}$, only one quantum of excitation in either of the van der Waals modes is necessary to allow the complex to sample both the Ne-SH and the Ne-HS minima on the potential. In contrast, in the most strongly bonded case of the $Kr - OH$ complex, $D_{0}$ is $1772 cm^{-1}$, and all of the assigned states are found to be localized in the Kr-HO minimum of the potential. Manifestations of this range of bonding, from van der Waals to near covalent in strength, in the spectroscopic constants will also be discussed. Description: Author Institution: Department of Chemistry, The Ohio State University URI: http://hdl.handle.net/1811/19254 Other Identifiers: 1999-MG-03