The B 1+ and X1+ electronic states of hydrogen fluoride: A direct potential fit analysis

John A. Coxon, Photos G. Hajigeorgiou

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)6261-6270
Number of pages10
JournalJournal of Physical Chemistry A
Volume110
Issue number19
DOIs
Publication statusPublished - 18 May 2006

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