Suppressed-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: $ν_1$ and $ν_4$ NH stretching modes in NH3D+

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

doi:10.1063/1.5113962

Title: Suppressed-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: $$ν_1$$ and $$ν_4$$ NH stretching modes in NH₃D⁺

Journal Article · Fri Aug 23 00:00:00 EDT 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5113962· OSTI ID:1610628

Scrape, Preston G. ^[1];

^[2];

^[1]

National Inst. of Standards and Technology (NIST), Boulder, CO (United States); Univ. of Colorado, Boulder, CO (United States)
SpectraSensors, Houston, TX (United States)

A suppressed-Doppler (Δν = 180 MHz) infrared spectrum of monodeuterated ammonium ions (NH₃D⁺) has been obtained for the ν₁ (symmetric) and ν₄ (degenerate) N–H stretch bands via direct absorption high resolution IR laser spectroscopy in a planar slit jet discharge expansion. The ion is efficiently generated by H₃⁺ protonation of NH₂D in a discharge mixture of H₂/NH₂D, with the resulting expansion rapidly cooling the molecular ions into low rotational states. The first high-resolution infrared spectrum of ν₁ is reported, as well as many previously unobserved transitions in the ν₄ rovibrational manifold. Simultaneous observation of both ν₁ and ν₄ permits elucidation of both the vibrational ground and excited state properties of the ion, including rigorous benchmarking of band origins against high-level anharmonic ab initio theory as well as determination of the ν₁:ν₄ intensity ratio for comparison with bond-dipole model predictions. Ground-state combination differences from this work and earlier studies permit the rotational constants of NH₃D⁺ to be determined to unprecedented accuracy, the results of which support previous laboratory and astronomical assignment of the 1₀–0₀ pure rotational transition and should aid future searches for other rotational transitions as well.

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

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: SC0002123; FG02-09ER16021; CHE 1665271; PHY 1734006

OSTI ID:: 1610628

Alternate ID(s):: OSTI ID: 1558705; OSTI ID: 1924531

Journal Information:: Journal of Chemical Physics, Vol. 151, Issue 8; ISSN 0021-9606

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

Country of Publication:: United States

Language:: English

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