화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.110, No.19, 6261-6270, 2006
The B (1)Sigma(+) and X (1)Sigma(+) 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-Schrodinger perturbation theory.