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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1999

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Ohio State University

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Over the past several years we have performed high resolution spectroscopic experiments on the MXII(A2Σ)(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 1cm−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 NcSH, the most weakly bound of these species with a D0 of 41cm−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 KrOH complex, D0 is 1772cm−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.

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Author Institution: Department of Chemistry, The Ohio State University

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