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Predissociation of the Schumann-Runge Bands of O2.
NAVAL RESEARCH LAB WASHINGTON D C
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The predissociation line broadening in the Schumann-Runge bands of O2 is explained by an ab initio calculation of the pertinent repulsive potential energy curves and spin-orbit matrix elements. The ab initio results provide an overall qualitative picture of the predissociation which is further refined through a detailed comparison with experiment. The dominant repulsive curve is also deduced by a deperturbation of the level shift in the second vibrational difference. The predissociation is dominated by the quintet Piu state crossing the B triplet sigma u- state around 1.87A with a spin-orbit matrix element of 65cm. The apparent experimental widths between v 5 and 11 are shown to be inconsistent with the theoretical analysis, the difference probably being due to line blending.
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