SPECTRAL INTENSITIES AND THE POTENTIAL SURFACE FOR THE He-CO VAN DER WAALS COMPLEX
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Date
1993
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Ohio State University
Abstract
The spectral data most often used to determine potential energy surfaces for Van der Waals complexes are infrared and microwave transition frequencies or the associated spectroscopic constants. However, the observed intensities also contain a wealth of information about the strength and anisotropy of the intermolecular potential which is complementary to that available from frequencies alone. While non-linear least squares fits to the observed frequencies have been used to determine a potential energy surface for the He-CO atom-diatom Van der Waals $complex,^{1}$ the classification and assignment of frequencies was only made possible by an analysis of $observed^{2}$ and calculated intensities. A relatively simple perturbation theory treatment of the interaction provides an effective means of explaining how the predicted frequencies and intensities depend on the different components of the potential anisotropy. The nature and role of the spectral intensities and their sensitivity to features of the potential energy surface will be discussed.
Description
1 C. Chuaqui and R.J. Le Roy, Paper TG03 of the $47^{th}$ Ohio State University International Symposium on Molecular Spectroscopy (1992). $^{2}$ A.R.W. McKellar, Paper TG02 of the $47^{th}$ Ohio State University International Symposium on Molecular Spectroscopy (1992).
Author Institution: Guelph-Waterloo Centre for Graduate Work in Chemistry, University of Waterloo
Author Institution: Guelph-Waterloo Centre for Graduate Work in Chemistry, University of Waterloo