Analysis of high temperature ammonia spectra from 780 to 2100 cm(-1)

作者:Zobov N F; Shirin S V; Ovsyannikov R I; Polyansky O L; Yurchenko S N; Barber R J; Tennyson J*; Hargreaves R J; Bernath P F
来源:Journal of Molecular Spectroscopy, 2011, 269(1): 104-108.
DOI:10.1016/j.jms.2011.05.003

摘要

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.

  • 出版日期2011-9