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Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Observational Astronomy.
Australian Natl Univ, Res Sch Astron & Astrophys, Canberra, ACT 2611, Australia.;Aarhus Univ, Dept Phys & Astron, Stellar Astrophys Ctr, Ny Munkegade 120, DK-8000 Aarhus C, Denmark..
2016 (English)In: Astronomy and Astrophysics, ISSN 0004-6361, E-ISSN 1432-0746, Vol. 588, A96Article in journal (Refereed) PublishedText
Abstract [en]

Partition functions and dissociation equilibrium constants are presented for 291 diatomic molecules for temperatures in the range from near absolute zero to 10 000 K, thus providing data for many diatomic molecules of astrophysical interest at low temperature. The calculations are based on molecular spectroscopic data from the book of Huber & Herzberg (1979, Constants of Diatomic Molecules) with significant improvements from the literature, especially updated data for ground states of many of the most important molecules by Irikura (2007, J. Phys. Chem. Ref. Data, 36, 389). Dissociation energies are collated from compilations of experimental and theoretical values. Partition functions for 284 species of atoms for all elements from H to U are also presented based on data collected at NIST. The calculated data are expected to be useful for modelling a range of low density astrophysical environments, especially star-forming regions, protoplanetary disks, the interstellar medium, and planetary and cool stellar atmospheres. The input data, which will be made available electronically, also provides a possible foundation for future improvement by the community.

Place, publisher, year, edition, pages
2016. Vol. 588, A96
Keyword [en]
molecular data, atomic data
National Category
Astronomy, Astrophysics and Cosmology
Identifiers
URN: urn:nbn:se:uu:diva-297123DOI: 10.1051/0004-6361/201526961ISI: 000373207800108OAI: oai:DiVA.org:uu-297123DiVA: diva2:941138
Funder
The Royal Swedish Academy of SciencesGöran Gustafsson Foundation for promotion of scientific research at Uppala University and Royal Institute of TechnologySwedish Research CouncilKnut and Alice Wallenberg Foundation
Available from: 2016-06-22 Created: 2016-06-21 Last updated: 2016-06-22Bibliographically approved

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Barklem, Paul S.
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