TY - JOUR
T1 - The B 1∑+ and X1∑+ electronic states of hydrogen fluoride
T2 - A direct potential fit analysis
AU - Coxon, John A.
AU - Hajigeorgiou, Photos G.
PY - 2006/5/18
Y1 - 2006/5/18
N2 - All literature pure rotational and vibration-rotational spectroscopic data on the ground X 1∑+ electronic state of HF and DF, together with the entire set of spectroscopic line positions from analyses of the B 1∑+ → X 1∑+ 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 σ̂ = 1.028. Sets of quantum mechanically significant rotational and centrifugal distortion constants were calculated for both electronic states using Rayleigh- Schrödinger perturbation theory.
AB - All literature pure rotational and vibration-rotational spectroscopic data on the ground X 1∑+ electronic state of HF and DF, together with the entire set of spectroscopic line positions from analyses of the B 1∑+ → X 1∑+ 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 σ̂ = 1.028. Sets of quantum mechanically significant rotational and centrifugal distortion constants were calculated for both electronic states using Rayleigh- Schrödinger perturbation theory.
UR - http://www.scopus.com/inward/record.url?scp=33745437910&partnerID=8YFLogxK
U2 - 10.1021/jp0606006
DO - 10.1021/jp0606006
M3 - Article
C2 - 16686460
AN - SCOPUS:33745437910
SN - 1089-5639
VL - 110
SP - 6261
EP - 6270
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 19
ER -