Improved potential energy curves and dissociation energies for HF, DF and TF

Warren T. Zemke, William C. Stwalley, John A. Coxon, Photos G. Hajigeorgiou

Research output: Contribution to journalArticlepeer-review

Abstract

We have constructed new hybrid potential energy curves for the ground states of HF, DF and TF based primarily on the experimentally based potentials of Coxon and Hajigeorgiou which include the isotopic dependence of the Born-Oppenheimer breakdown. For observed and unobserved quasibound states of HF and DF, we used these potentials and calculated quasibound energies and linewidths for various dissociation energies De. Based on a comparison of calculated and observed line positions and widths, we determined improved De values: for HF, De = 49362 ± 5 cm-1 (D0 = 47311 cm-1); for DF, De = 49346 ± 8 cm-1 (D0 = 47856 cm-1); for TF, De = 49341 ± 9 cm-1 (D0 = 48093 cm-1.

Original languageEnglish
Pages (from-to)412-418
Number of pages7
JournalChemical Physics Letters
Volume177
Issue number4-5
DOIs
Publication statusPublished - 1 Mar 1991

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