Vibrational-rotational Einstein coefficients for HF/DF and HCl/DCl |
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Authors: | D. Oba B.S. Agrawalla D.W. Setser |
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Affiliation: | Chemistry Department, Kansas State University, Manhattan, KS 66506, U.S.A. |
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Abstract: | The RKR potential functions have been combined with the best experimentally based dipole functions to calculate the Einstein coefficients for HF/DF and HCl/DCl. Calculations were done for the Δν = 1,2,3 transitions for a wide range of ν′ (?15 for HF/DF and ?8 for HCl/ DCl) and J′ (?25). Experimental tests involving comparison of P- and R-branch line intensities for high-J′ transitions of the HF (ν1 → ν0, ν2 → ν1 and ν3 → ν2 bands) and the Δν = 2 and Δν = 1 transitions for HF/DF and HCl are done to examine the reliability of the Einstein coefficients for the rotational and vibrational levels, respectively. Good agreement is obtained for HF/DF even for the high-J′ R-branch intensities which vary markedly with J′. But the data suggest improvement is needed in the dipole functions for HCl (and DCl). |
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