Analysis of high temperature ammonia spectra from 780 to 2100 cm |
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| Authors: | NF Zobov SV Shirin RI Ovsyannikov OL Polyansky SN Yurchenko RJ Barber J Tennyson RJ Hargreaves PF Bernath |
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| Institution: | aInstitute of Applied Physics, Russian Academy of Sciences, Ulyanov Street 46, Nizhnii Novgorod 603950, Russia;bDepartment of Physics and Astronomy, University College London, London WC1E 6BT, UK;cDepartment of Chemistry, University of York, Heslington, York YO10 5DD, UK |
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| Abstract: | A recently-recorded set Hargreaves et al., Astrophys. J., in press] of Fourier transform emission spectra of hot ammonia is analyzed using a variational line list. Approximately 3350 lines are newly assigned to mainly hot bands from vibrational states as high as v2 = 2. 431 new energy levels of these states are experimentally determined, considerably extending the range of known rotationally-excited states. Comparisons with a recent study of high J levels in the ground and first vibrational states Yu et al., J. Chem. Phys., 133 (2010) 174317] suggests that while the line assignments presented in that work are correct, their energy level predictions suffer from problems associated with the use of very high-order perturbation series in the effective Hamiltonian. It is suggested that variational calculations provide a more stable method for analyzing spectra involving highly-excited states of ammonia. |
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| Keywords: | Infrared Emission spectroscopy Ammonia Assignment Variational calculations |
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