VIBRATING-ROTATOR DESCRIPTION OF MOLECUAR SPECTRA
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Date
1979
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Ohio State University
Abstract
Instead of describing molecular spectra in terms of electronic energy plus vibrational energy plus rotational energy, with rotational energy constants depending on vibrational quantum numbers; molecular spectra can be described in terms of electronic energy plus rotational energy with vibrational energy energy constants dependent on rational quantum numbers. This latter procedure provides a unique potential energy curve for each value of a rotational quantum number. The square array wave numbers for lines corresponding to vibrational quantum numbers $v^{\prime} J^{\prime}$ and $v^{\prime} J^{\prime}$ have constant separations of the wave number values in rows and in columns. Each line in a band provides a determination of $(\nu_{oo}) J^{\prime} J^{\prime}$ so that the final average value of constants are expected to be more accurate than constants obtained by usual methods. A sample calculation for TlCl will be described.
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