4.7 Article

ExoMol line lists - VIII. A variationally computed line list for hot formaldehyde

Journal

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
Volume 448, Issue 2, Pages 1704-1714

Publisher

OXFORD UNIV PRESS
DOI: 10.1093/mnras/stv091

Keywords

molecular data; opacity; planets and satellites: atmospheres; stars: atmospheres; ISM: molecules

Funding

  1. ERC [267219]
  2. STFC [ST/K00333X/1, ST/J005673/1] Funding Source: UKRI
  3. Science and Technology Facilities Council [ST/J005673/1, ST/K00333X/1] Funding Source: researchfish

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A computed line list for formaldehyde, (H2CO)-C-12-O-16, applicable to temperatures up to T = 1500 K is presented. An empirical potential energy and ab initio dipole moment surfaces are used as the input to the nuclear motion program TROVE. The resulting line list, referred to as AYTY, contains 10.3 million rotational-vibrational states and around 10 billion transition frequencies. Each transition includes associated Einstein-A coefficients and absolute transition intensities, forwavenumbers below 10000 cm(-1) and rotational excitations up to J = 70. Room-temperature spectra are compared with laboratory measurements and data currently available in the HITRAN data base. These spectra show excellent agreement with experimental spectra and highlight the gaps and limitations of the HITRAN data. The full line list is available from the CDS data base as well as at www.exomol.com.

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