Characterization of gas-phase thorium nitride

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

doi:10.1063/1.5089136

Characterization of gas-phase thorium nitride

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

Molecular Sciences, School of (SMS)

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

2 Scopus citations

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 language	English (US)
Article number	144304
Journal	Journal of Chemical Physics
Volume	150
Issue number	14
DOIs	https://doi.org/10.1063/1.5089136
State	Published - Apr 14 2019

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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title = "Characterization of gas-phase thorium nitride",

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.",

author = "Le, {Anh T.} and Nakhate, {Sanjay G.} and Nguyen, {Duc Trung} and Steimle, {Timothy C.} and Heaven, {Michael C.}",

note = "Funding Information: The research at Arizona State University was supported by a grant from the DoE-Heavy Elements program (Grant No. DESC0018241). The participation of M.C.H. in this project was also supported by the Heavy Element program of the US Department of Energy under Grant No. DE-FG02-01ER15153. The authors thank Professor Michael Morse (U. Utah) for the use of his dye laser and associated optics. Publisher Copyright: {\textcopyright} 2019 Author(s).",

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AU - Le, Anh T.

AU - Nakhate, Sanjay G.

AU - Nguyen, Duc Trung

AU - Steimle, Timothy C.

AU - Heaven, Michael C.

N1 - Funding Information: The research at Arizona State University was supported by a grant from the DoE-Heavy Elements program (Grant No. DESC0018241). The participation of M.C.H. in this project was also supported by the Heavy Element program of the US Department of Energy under Grant No. DE-FG02-01ER15153. The authors thank Professor Michael Morse (U. Utah) for the use of his dye laser and associated optics. Publisher Copyright: © 2019 Author(s).

PY - 2019/4/14

Y1 - 2019/4/14

N2 - 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.

AB - 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.

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Characterization of gas-phase thorium nitride

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