ESTIMATES OF VIBRONIC COUPLING EFFECTS ON THE VISIBLE AND INFRARED SPECTRA OF $NO_{2}$ AND $C10_{2}$ MOLECULES

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1982

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Ohio State University

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It is found that if one assumes vibronic mixing of the A−2A2 and X−2B1 states of C102 by ν3(b2), with a coupling constant of 1500cm−1, observed vibrational levels in both states and some unusual transition probability observations can be modelled. The model is therefore applied also to the A−2B2 and X−2A1 states of NO2, for which vibronic interaction has been suspected for the past 15 years. The coupling constant for NO2 is 1000cm−1. It is predicted that the unidentified 302 band of the A−2B2−X−2A1 transition of HO2 is seven times as strong as the 302 band, and that it lies 2470cm−1 above the (also unidentified) D-D band.

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