DOUBLE-MINIMUM POTENTIAL FUNCTIONS IN EXCITED STATES OF $ClO_{2}$, $SO_{2}$, AND $NO_{2}^{\ast}$

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1964

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Ohio State University

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The 3600 {\AA} absorption system of ClO2 includes bands which involve vibrational excitation in the antisymmetrical coordinate Q3. A previously reported calculation1 was partly successful in explaining the intensities and the isotope shifts of these bands in terms of a double-minimum potential in the Q3 coordinate. A new calculation based on a slightly modified vibrational analysis yields considerably better agreement with experiment. The observed intervals are 1+−0+=898cm−1 and 2+−1+=988cm−1. The barrier of the double-minimum potential is 1130cm−1. Similar results are obtained for the excited states of the 2300 {\AA} system of SO2 and the 2400 {\AA} system of NO2. For SO21+−0+=560cm−1 and the barrier is 656cm−1. For NO21+−0+=713cm−1,2 and the barrier is approximately 800cm−1.

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Work supported by the Air Force Office of Scientific Research. 1 J. B. Coon, F. A. Cesani, and C. M. Loyd, Discussions Faraday Soc. No. 35, 118 (1963). 2 R. K. Ritchie, A. D. Walsh, and P. A. Warsop, Spectroscopy, edited by M. J. Mills, (Pergamon Press, London, 1963) p. 1.


Author Institution: Department of Physics, Texas A & M University

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