VIBRATING-ROTATOR DESCRIPTION OF MOLECUAR SPECTRA

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.