Rovibrational laser jet-cooled spectroscopy of the NH 3 –Ar complex in the ν 2 umbrella region of NH 3 : comparison between new infrared data and an ab initio calculated spectrum - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Molecular Physics Année : 2018

Rovibrational laser jet-cooled spectroscopy of the NH 3 –Ar complex in the ν 2 umbrella region of NH 3 : comparison between new infrared data and an ab initio calculated spectrum

Résumé

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 Πs(j = 1,k = 0) ← Σa(j,k = 0) and Σs(j = 1,k = 0) ← Σa(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 Πs/a,lower(j = 1,k = 1) ← Σa(j = 1,k = 1) and Πs/a,upper(j = 1,k = 1) ← Σs(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.
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Dates et versions

hal-01912258 , version 1 (13-11-2018)

Identifiants

Citer

Pierre Asselin, Yacine Belkhodja, Atef Jabri, Alexey Potapov, Jérôme Loreau, et al.. Rovibrational laser jet-cooled spectroscopy of the NH 3 –Ar complex in the ν 2 umbrella region of NH 3 : comparison between new infrared data and an ab initio calculated spectrum. Molecular Physics, 2018, 116 (23-24), pp.3642 - 3655. ⟨10.1080/00268976.2018.1471533⟩. ⟨hal-01912258⟩
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