Molecular Constants and Internuclear Potential of Ground-State Molecular Iodine

Abstract

A reanalysis of the spectroscopic data for ground-state iodine yields improved rotational constants and vibrational energies which are used to compute a new RKR potential. Polynomial representations of the vibrational energies and rotational constants are presented which fit all the data to within the respective experimental precision of Verma and of Rank and Baldwin. New approaches are introduced for separately obtaining the rotational $B_{\upsilon }$ and $D_{\upsilon }$ constants and for estimating error bounds for computed RKR turning points.