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

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

doi:10.1063/1.4794049

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

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

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

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 language	English (US)
Article number	124313
Journal	Journal of Chemical Physics
Volume	138
Issue number	12
DOIs	https://doi.org/10.1063/1.4794049
State	Published - Mar 28 2013

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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

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.",

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T1 - The molecular frame electric dipole moment and hyperfine interactions in hafnium fluoride, HfF

AU - Le, Anh

AU - Steimle, Timothy

AU - Skripnikov, Leonid

AU - Titov, Anatoly V.

PY - 2013/3/28

Y1 - 2013/3/28

N2 - 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.

AB - 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.

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

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