Characterization of gas-phase thorium nitride

Anh T. Le, Sanjay G. Nakhate, Duc Trung Nguyen, Timothy Steimle, Michael C. Heaven

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Properties of gas-phase thorium nitride, ThN, have been experimentally determined from a combined optical and microwave spectroscopic study. An intense band near 555 nm has been assigned as the [18.0]1.5-X 2 Σ + (0,0) transition and recorded at high resolution in the presence of static electric and magnetic fields. The observed optical Stark shifts were analyzed to determine permanent electric dipole moments, μ→el for the [18.0]1.5 and X 2 Σ + states of 4.38 ± 0.02D and 5.11 ± 0.09D, respectively. Zeeman shifts were used to determine the magnetic g-factors. The pure rotational spectrum was recorded using a separated field optical pump/probe microwave repopulation scheme and analyzed to determine the bond length and 14 N magnetic hyperfine and nuclear electric quadrupole parameters. A molecular orbital correlation diagram and ligand field electronic structure models are used to provide a qualitative interpretation of the electronic state ordering, magneto- and electro-static properties, and hyperfine interactions. Electronic structure calculations for the X 2 Σ + state were performed, and results were compared with observations. Observed trends in μ→el for the ThX (X = N, S, O, F, and Cl) series are discussed.

Original languageEnglish (US)
Article number144304
JournalJournal of Chemical Physics
Volume150
Issue number14
DOIs
StatePublished - Apr 14 2019

Fingerprint

Thorium
thorium
Nitrides
Electronic structure
nitrides
Gases
Microwaves
Electric dipole moments
vapor phases
Bond length
Electronic states
Molecular orbitals
microwave probes
electronic structure
shift
Electric fields
rotational spectra
Pumps
electric moments
Magnetic fields

ASJC Scopus subject areas

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

Cite this

Le, A. T., Nakhate, S. G., Nguyen, D. T., Steimle, T., & Heaven, M. C. (2019). Characterization of gas-phase thorium nitride. Journal of Chemical Physics, 150(14), [144304]. https://doi.org/10.1063/1.5089136

Characterization of gas-phase thorium nitride. / Le, Anh T.; Nakhate, Sanjay G.; Nguyen, Duc Trung; Steimle, Timothy; Heaven, Michael C.

In: Journal of Chemical Physics, Vol. 150, No. 14, 144304, 14.04.2019.

Research output: Contribution to journalArticle

Le, AT, Nakhate, SG, Nguyen, DT, Steimle, T & Heaven, MC 2019, 'Characterization of gas-phase thorium nitride', Journal of Chemical Physics, vol. 150, no. 14, 144304. https://doi.org/10.1063/1.5089136
Le, Anh T. ; Nakhate, Sanjay G. ; Nguyen, Duc Trung ; Steimle, Timothy ; Heaven, Michael C. / Characterization of gas-phase thorium nitride. In: Journal of Chemical Physics. 2019 ; Vol. 150, No. 14.
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