Potential energy curves and predicted fluorescence for neon fluoride

Abstract
Potential energy curves for the lowest four states of NeF have been computed and used to determine the bound‐free Franck–Condon factors. Combining these with the calculated transition moments, the fluorescence spectra of NeF has been predicted. The dominant feature is the charge transfer band 2 2Σ→1 2Σ at 108 nm. Several other weaker transitions are shown to overlap this band.