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ExoMol line lists – XXII. The rotation-vibration spectrum of silane up to 1200 K

MPG-Autoren
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Thiel,  Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Zitation

Owens, A., Yachmenev, A., Thiel, W., Tennyson, J., & Yurchenko, S. N. (2017). ExoMol line lists – XXII. The rotation-vibration spectrum of silane up to 1200 K. Monthly Notices of the Royal Astronomical Society, 471(4), 5025-5032. doi:10.1093/mnras/stx1952.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-002E-9D41-1
Zusammenfassung
A variationally computed 28SiH4 rotation-vibration line list applicable for temperatures up to T = 1200 K is presented. The line list, called OY2T, considers transitions with rotational excitation up to J = 42 in the wavenumber range 0–5000 cm−1 (wavelengths λ > 2 μm). Just under 62.7 billion transitions have been calculated between 6.1 million energy levels. Rovibrational calculations have utilized a new ‘spectroscopic’ potential energy surface determined by empirical refinement to 1452 experimentally derived energy levels up to J = 6, and a previously reported ab initio dipole moment surface. The temperature-dependent partition function of silane, the OY2T line list format, and the temperature dependence of the OY2T line list are discussed. Comparisons with the PNNL spectral library and other experimental sources indicate that the OY2T line list is robust and able to accurately reproduce weaker intensity features. The full line list is available from the ExoMol data base and the CDS data base.