THE ROTATIONAL RKR METHOD

Abstract

In the rapidly growing field of high resolution infrared spectroscopy of van der Waals complexes, one often obtains a wealth of rotational information for a single vibrational state. A new RKR based Method is described for extracting one dimensional potentials via inversion of high precision data on rotational energy levels alone. This method proves remarkably successful at quantitatively reproducing intermolecular potentials from rotational data for I) weakly bound (e.g. model van der Waals complexes) and ii) strongly bound (e.g. $v-O$ rotational levels of $H_{2} X^{1}\Sigma_{g})$ molecules.