The B 1sigma+ and X 1sigma+ electronic states of hydrogen fluoride: a direct potential fit analysis.
All literature pure rotational and vibration-rotational spectroscopic data on the ground X (1)Sigma(+) electronic state of HF and DF, together with the entire set of spectroscopic line positions from analyses of the B (1)Sigma(+) --> X (1)Sigma(+) emission band systems of HF and DF, have been used in a global least-squares fit to the radial Hamiltonian operators, in compact analytic form, for both electronic states. With a data set consisting of 6157 spectroscopic line positions, the reduced standard deviation of the fit was sigma = 1.028. Sets of quantum mechanically significant rotational and centrifugal distortion constants were calculated for both electronic states using Rayleigh-Schrödinger perturbation theory.
Coxon
John A
JA
Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada B3H 4J3. John.Coxon@Dal.ca
Hajigeorgiou
Photos G
PG