Theoretical study of the spectroscopy of FeH(+)

Details Theoretical study of the spectroscopy of FeH(+) Theoretical study of the spectroscopy of FeH(+)

Jul 1991

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1991apj...375..843l&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 375, July 10, 1991, p. 843-845.

Astronomy and Astrophysics

Astrophysics

5

Electron States, Iron Compounds, Photodissociation, Stellar Atmospheres, Stellar Spectra, Franck-Condon Principle, Ground State, Metal Hydrides, Molecular Energy Levels

Scientific paper

High-level ab initio calculations are reported for the low-lying states of the FeH(+) molecule. The ground state is determined to be X 5Delta with the low-lying 5Pi state lying about 600/cm higher. The excited states of FeH(+) are repulsive in the Franck-Condon region of the ground state. Thus it is likely that FeH(+) is photodissociated in stellar atmospheres. The strongest transition should be the (3) 5Delta - X 5Delta transition near 30,000/cm, which should give rise to a structureless feature in the absorption spectrum due to the repulsive nature of the upper state. All of the perpendicular transitions are computed to be very weak. The D0 value of FeH(+) is computed to be 50.2 kcal/mole, which should be the most accurate theoretical value to date.

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