Journal
JOURNAL OF MOLECULAR SPECTROSCOPY
Volume 269, Issue 1, Pages 104-108Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jms.2011.05.003
Keywords
Infrared; Emission spectroscopy; Ammonia; Assignment; Variational calculations
Funding
- University of York
- Leverhulme Trust
- Department of Chemistry
- STFC
- Russian Fund for Fundamental Science
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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 nu(2) = 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) 1743171 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. (C) 2011 Elsevier Inc. All rights reserved.
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