Analysis of the red and green optical absorption spectrum of gas phase ammonia

作者：Zobov Nikolai F; Coles Phillip A; Ovsyannikov Roman I; Kyuberis Aleksandra A; Hargreaves Robert J; Bernath Peter F; Tennyson Jonathan^*; Yurchenko Sergei N; Polyansky Oleg L

来源：Journal of Quantitative Spectroscopy and Radiative Transfer, 2018, 209: 224-231.

DOI：10.1016/j.jcprt.2018.02.001

• Ammonia
• Vibration-rotation
• Visible
• Line list

Room temperature NH3 absorption spectra recorded at the Kitt Peak National Solar Observatory in 1980 are analyzed. The spectra cover two regions in the visible: 15,200 - 15,700 cm(-1) and 17,950 - 18,250 cm(-1). These high overtone rotation-vibration spectra are analyzed using both combination differences and variational line lists. Two variational line lists were computed using the TROVE nuclear motion program: one is based on an ab initio potential energy surface (PES) while the other used a semi-empirical PES. Ab initio dipole moment surfaces are used in both cases. 95 energy levels with J = 1 - 7 are determined from analysis of the experimental spectrum in the 5v(NH) (red) region and 46 for 6v(NH) (green) region. These levels span four vibrational bands in each of the two regions, associated with stretching overtones.

• 出版日期2018-4