Astronomy and Astrophysics – Astrophysics
Scientific paper
Feb 1992
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1992a%26a...255..453s&link_type=abstract
Astronomy and Astrophysics (ISSN 0004-6361), vol. 255, no. 1-2, p. 453-456.
Astronomy and Astrophysics
Astrophysics
37
Deuterium, Energy Levels, Hydrogen Ions, Interstellar Chemistry, Molecular Ions, Reaction Kinetics, Chemical Equilibrium, Molecular Oscillations, Molecular Rotation, Nuclear Spin
Scientific paper
Partition functions for H3(+) and H2D(+) are calculated by explicit summation of ab initio rotation-vibration energy levels for temperatures up to 2800 K. Estimates of the errors are given. A previously proposed high temperature approximation to the nuclear spin statistics of H3(+) is tested and found to be reliable. Equilibrium constants are given as a function of temperature for the main H3(+)-forming reaction H2 + H2(+) - H3(+) + H and reactions responsible for deuterium fractionation H3(+) + D - H2D(+) + H and H3(+) + HD - H2D(+) + H2. Comparisons are made with data previously used for modelling.
Miller Samantha
Sidhu K. S.
Tennyson Jonathan
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