Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: The NH stretching mode in ND3H+

Chang, Chih-Hsuan; Scrape, Preston G.; Nesbitt, David J.

doi:10.1063/1.5049603

Title: Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: The NH stretching mode in ND₃H⁺

Journal Article · Mon Oct 08 00:00:00 EDT 2018 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5049603· OSTI ID:1610626

^[1]; Scrape, Preston G. ^[2];

^[2]

Spectra Sensors, Houston, TX (United States)
Univ. of Colorado, Boulder, CO (United States)

High-resolution rotationally resolved spectra of the N–H stretch vibrational mode (ν1) of jet-cooled ND₃H⁺ ions are collected and analyzed in a sub-Doppler slit-jet infrared spectrometer. The isotopomeric ammonium ions are generated by proton transfer from H₃⁺ to ND₃ in a discharge of an ND₃/H₂ gas mixture, whereby the slit jet expansion cools the nascent ND₃H⁺ ions into lower rotational states. Rotational assignments are confirmed by four-line combination differences that agree to within the spectrometer precision (9 MHz). Based on precision two-line ground-state combination differences and a symmetric top Hamiltonian, the B, D_J, and D_JK rotational constants for the ground vibrational state of ND₃H⁺ are determined with high precision for the first time. Approximate rotational constants for the ν₁ excited state are also determined, with a band origin at 3316.8425(19) cm^-1 and in remarkable (~0.1 cm^-1) agreement with high level anharmonic theoretical predictions by Guo and co-workers [J. Phys. Chem. A, 120, 2185 (2016)]. Our results allow us to predict several low-J pure rotational transitions of ND₃H⁺, which we hope will support future studies of this important ion in laboratory and astronomical rotational spectroscopy.

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

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0002123; FG02-09ER16021

OSTI ID:: 1610626

Alternate ID(s):: OSTI ID: 1476693; OSTI ID: 1924533

Journal Information:: Journal of Chemical Physics, Vol. 149, Issue 14; ISSN 0021-9606

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

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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Title: Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: The NH stretching mode in ND3H+

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Title: Sub-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: The NH stretching mode in ND₃H⁺