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Hot Molecular Line Lists for Extrasolar Planets and Industry

Barton, EJ; (2016) Hot Molecular Line Lists for Extrasolar Planets and Industry. Doctoral thesis , UCL (University College London). Green open access

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This research is a composite of projects which have individually contributed new results to their respective subjects, whilst collectively contributing to the updating of the ExoMol database to include pressure broadening. This research also represents a successful collaboration between academia and industry. A combination of empirical and ab initio methods were used to compute accurate ro-vibrational line lists for sodium chloride and potassium chloride and refine line lists for carbon monosulphide. Hot line lists for hydrogen chloride, formaldehyde, ammonia and methane were assessed by comparison to high resolution laboratory spectra at temperatures relevant to industrial spectral studies and extrasolar planets. Hot and room temperature Fourier transform infrared spectra of ammonia have been analysed using a variational line list available from ExoMol and, where available, experimental energy levels. Over 5000 new line assignments have been made, providing over 3000 new experimental energies in the range 500 - 11,000 wavenumbers. In addition, an analysis of a room temperature spectrum in the region 9000 - 10,400 wavenumbers has been started. A combined analysis of assigned high resolution experimental spectra of methane available from peer reviewed sources using the MARVEL algorithm has been started. It is intended that the resulting compilation of verified experimental ro-vibrational energies will aid the analysis of hot methane spectra in the region 1000 - 6300 wavenumbers. Custom built pressure and temperature dependent absorption cross sections for water, carbon monoxide, carbon dioxide and ammonia were generated using ExoMol and HITEMP line lists for new spectral retrieval code τ-REx, to facilitate the unbiased analysis of extrasolar planetary spectra. Finally, the data requirements and challenges related to data usage of these separate projects are used to inform the implementation of pressure broadening in the ExoMol database.

Type: Thesis (Doctoral)
Title: Hot Molecular Line Lists for Extrasolar Planets and Industry
Event: University College London
Open access status: An open access version is available from UCL Discovery
Language: English
Keywords: extrasolar planets, spectroscopy, molecular line lists, industry, high temperature, potassium chloride, sodium chloride, ammonia, methane, absorption cross sections, pressure broadening, line assignments, experimental energy levels, carbon monosulfide, FTIR
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery.ucl.ac.uk/id/eprint/1508500
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