The Huggins band of ozone: assignment of hot bands |
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Authors: | Zhu H Qu Z-W Grebenshchikov S Yu Schinke R Malicet J Brion J Daumont D |
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Institution: | Max-Planck-Institut für Str?mungsforschung, D-37073 G?ttingen, Germany. |
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Abstract: | The "hot bands" of the Huggins band of ozone are assigned, in both the 218 K and the 295 K spectrum. The assignment is based on intensities calculated with three-dimensional vibrational wave functions for the electronic ground state (X) and the excited state (B). The hot-band structures in the 218 K spectrum all can be assigned to transitions starting from vibrational states with one quantum of stretching excitation in the ground electronic state. The 295 K spectrum shows new structures, which are due to transitions originating from vibrational states in the X state with two quanta of excitation of the stretching modes--despite very small Boltzmann factors. All structures in the low-energy range of the 295 K spectrum, even the very weak ones, thus can be uniquely interpreted. The significance of hot bands results from the strong increase of Franck-Condon factors with excitation of the stretching modes in both the lower and/or the upper electronic states, whose equilibrium bond lengths differ significantly. |
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