Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: Symmetric (ν1) and antisymmetric (ν6) NH stretching modes in ND2H2+

Chang, Chih-Hsuan; Nesbitt, David J.

doi:10.1063/1.5003230

Title: Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: Symmetric (ν₁) and antisymmetric (ν₆) NH stretching modes in ND₂H₂⁺

Journal Article · 14 May 2019 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/1.5003230 · OSTI ID:1512942

Chang, Chih-Hsuan ^[1]; Nesbitt, David J. ^[2]

Univ. of Colorado, Boulder, CO (United States). JILA, National Inst. of Standards and Technology, Dept. of Chemistry and Biochemistry; none
Univ. of Colorado, Boulder, CO (United States). JILA, National Inst. of Standards and Technology, Dept. of Chemistry and Biochemistry

Sub-Doppler infrared rovibrational transitions in the symmetric (v1) and antisymmetric (v6) NH stretch modes of the isotopomerically substituted ND₂H₂⁺ ammonium cation are reported for the first time in a slit jet discharge supersonic expansion spectrometer. The partially H/D substituted cation is generated by selective isotopic exchange of ND₃ with H₂O to form NHD₂, followed by protonation with H3+ formed in the NHD2/H2/Ne slit-jet discharge expansion environment. Rotational assignment for ND₂H₂⁺ is confirmed rigorously by four line ground state combination differences, which agree to be within the sub-Doppler precision in the slit jet (∼9 MHz). Observation of both b-type (ν1) and c-type (ν6) bands enables high precision determination of the ground and vibrationally excited state rotational constants. From an asymmetric top Watson Hamiltonian analysis, the ground state constants are found to be A" = 4.856 75(4) cm-1, B" = 3.968 29(4) cm-1, and C" = 3.446 67(6) cm-1, with band origins at 3297.5440(1) and 3337.9050(1) cm-1 for the v1 and v6 modes, respectively. Lastly, this work permits prediction of precision microwave/mm-wave transitions, which should be invaluable in facilitating ongoing spectroscopic searches for partially deuterated ammonium cations in interstellar clouds and star-forming regions of the interstellar medium

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Research Organization:: Univ. of Colorado, Boulder, CO (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0002123

OSTI ID:: 1512942

Alternate ID(s):: OSTI ID: 1415507; OSTI ID: 1924536

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 148; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: Symmetric (ν₁) and antisymmetric (ν₆) NH stretching modes in ND₂H₂⁺