Details

Autor(en) / Beteiligte

• Canè, E.
• Di Lonardo, G.
• Fusina, L.
• Tamassia, F.
• Predoi-Cross, A.

Titel

The v2 = 1, 2 and v4 = 1 bending states of 15NH3 and their analysis at experimental accuracy

Ist Teil von

• The Journal of chemical physics, 2019-05, Vol.150 (19), p.194301-194301

Ort / Verlag

Melville: American Institute of Physics

Erscheinungsjahr

2019

Quelle

American Institute of Physics (AIP) Journals

Beschreibungen/Notizen

• 15NH3 is the object of extensive investigation due to the central role of ammonia in astronomical sciences and to the complexity of modeling its interacting vibrationally excited states. Of major interest in astrochemistry is the determination of the 14N/15N ratio in space, characterized by unexpected variability among different solar system objects and reservoirs. Recently, the spectroscopic analysis of ground and v2 = 1 a, s states of 15NH3 has been completed at experimental accuracy. Here, the characterization of the a, s inversion symmetry levels of v2 = 1, 2 and v4 = 1 states is presented. New spectra of 15NH3 have been recorded from 325 to 2000 cm−1 at a resolution ranging from 0.00096 cm−1 to 0.003 cm−1, using the Canadian Light Source synchrotron at CLS. 7518 transitions covering nine bands, ν2, 2ν2, ν4, 2ν2 ← ν2, ν4 ← ν2, 2ν2 ↔ ν4 and the inversion-rotation transitions in the excited states, have been fitted simultaneously. The effective Hamiltonian adopted includes all symmetry allowed interactions between and within the studied excited states, according to the most recent results on ammonia. The transitions have been reproduced at experimental accuracy using 185 spectroscopic parameters, determined with high precision. The leading diagonal parameters, Gv, B, C, D’s, compare well with those of 14NH3. The wavenumbers of the assigned transitions are compared with their theoretically predicted values. An improved set of ground state parameters is also derived. These results noticeably improve the wavenumber line list in the high-resolution transmission molecular absorption (HITRAN) database.