Molecular line lists: The ro-vibrational spectra of NaF and KF

Abstract

Rotation–vibration line lists for 23Na19F, 39K19F, and 41K19F in their ground electronic states are presented. Experimental data previously collected for infrared transitions up to v=8 and v=9 for KF [1] and NaF [2], respectively, and for pure rotational transitions have been used to construct potential energy curves to yield ro-vibrational energy levels. Dipole moment functions were generated from ab initio calculations using the SA-CASSCF and ACPF methods. Full line lists and partition functions are made available as supplementary data.