The molecular frame electric dipole moment and hyperfine interactions in hafnium fluoride, HfF

Anh Le, Timothy Steimle, Leonid Skripnikov, Anatoly V. Titov

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Abstract

The (1,0) 17.92.5-X2Δ32 band of hafnium monofluoride (HfF) has been recorded using high-resolution laser-induced fluorescence spectroscopy both field-free and in the presence of a static electric field. The field-free spectra of 177HfF, 179HfF, and 180HfF were modeled to generate a set of fine and hyperfine parameter for the X2Δ32(v = 0) and 17.92.5 (v = 1) states. The observed optical Stark shifts for the 180HfF isotopologue were analyzed to produce the molecular frame electric dipole moments of 1.66(1) D and 0.419(7) D for the X2Δ32 and 17.925 state, respectively. Both the generalized effective core potential and all-electron four component approaches were used in ab initio calculations to predict the properties of ground state HfF including equilibrium distance, dipole moments, quadrupole coupling, and magnetic hyperfine constants.

Original languageEnglish (US)
Article number124313
JournalJournal of Chemical Physics
Volume138
Issue number12
DOIs
Publication statusPublished - Mar 28 2013

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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