Rovibrational laser jet-cooled spectroscopy of the NH3-Ar complex in the ν2 
umbrella region of NH3: comparison between new infrared data and an ab initio 
calculated spectrum

Asselin, Pierre; Belkhodja, Yacine; Jabri, Atef; Potapov, Alexey; Loreau, Jérôme; van der Avoird, Ad

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Journal Article

Rovibrational laser jet-cooled spectroscopy of the NH₃-Ar complex in the ν₂ umbrella region of NH₃: comparison between new infrared data and an ab initio calculated spectrum

MPS-Authors

Asselin, Pierre
Max Planck Institute for Astronomy, Max Planck Society and Cooperation Partners;

Belkhodja, Yacine
Max Planck Institute for Astronomy, Max Planck Society and Cooperation Partners;

Jabri, Atef
Max Planck Institute for Astronomy, Max Planck Society and Cooperation Partners;

Potapov, Alexey
Max Planck Institute for Astronomy, Max Planck Society and Cooperation Partners;

Loreau, Jérôme
Max Planck Institute for Astronomy, Max Planck Society and Cooperation Partners;

van der Avoird, Ad
Max Planck Institute for Astronomy, Max Planck Society and Cooperation Partners;

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https://ui.adsabs.harvard.edu/abs/2018MolPh.116.3642A
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Citation

Asselin, P., Belkhodja, Y., Jabri, A., Potapov, A., Loreau, J., & van der Avoird, A. (2018). Rovibrational laser jet-cooled spectroscopy of the NH₃-Ar complex in the ν₂ umbrella region of NH₃: comparison between new infrared data and an ab initio calculated spectrum. Molecular Physics, 116, 3642-3655.

Cite as: https://hdl.handle.net/21.11116/0000-0005-CF2C-2

Abstract

Five ortho and para bands of the ν₂ umbrella mode of the NH₃-Ar van der Waals complex have been recorded at high resolution using jet-cooled infrared laser spectroscopy. A rovibrational analysis provides accurate band centres and upper state rotational constants for the Π_s(j = 1,k = 0) ← Σ_a(j,k = 0) and Σ_s(j = 1,k = 0) ← Σ_a(j,k = 0) ortho bands. The puzzling para bands observed in the region of the lower and upper components of the inversion splitting doublet have been assigned by comparison with rovibrational and tunnelling levels and transitions calculated ab initio. The latter calculations are based on the four- dimensional potential energy surface reported by Loreau et al. [J. Chem. Phys. 141, 224303 (2014)], which takes explicitly into account the umbrella motion of the ammonia molecule. The very good agreement found between Π_s/a,lower(j = 1,k = 1) ← Σ_a(j = 1,k = 1) and Π_s/a,upper(j = 1,k = 1) ← Σ_s(j = 1,k = 1) experimental and calculated transitions has been exploited to determine precisely two different inversion splittings in the ν₂ state (32.003(1) and 36.008(1) cm^-1) from extrapolated Q(0) line frequencies and to obtain a qualitative picture of Coriolis couplings present in both the ν₂ = 0 and ν₂ = 1 states.