Theoretical study of the spectroscopy of FeH

Details Theoretical study of the spectroscopy of FeH Theoretical study of the spectroscopy of FeH

Jun 1990

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1990jmosp.141..243l&link_type=abstract

Journal of Molecular Spectroscopy, Volume 141, Issue 2, p. 243-257.

Astronomy and Astrophysics

Astrophysics

41

Scientific paper

The quartet and sextet states of FeH below 25 000 cm-1 have been studied using the state-averaged CASSCF/MRCI method. Einstein coefficients are presented for the near-infrared system, which is assigned as F4Δ-X4Δ. We recommend employing an electronic oscillator strength of 0.018 for the near-infrared system in conjunction with an X4Δ dissociation energy (De) of 2.05 eV in assessing the feasibility of detecting FeH in astrophysical sources. The e6Π-a6Δ and g6Φ-a6Δ transitions are found to have the largest oscillator strength in the green and blue spectral regions. These two transitions, as well as the H4Δ-X4Δ transition, probably account for most of the emissions observed in the green and blue. Perpendicular transitions dominate the sextet manifold, while only parallel transitions carry appreciable oscillator strength in the quartet manifold. These observations can be explained in terms of the fact that all of the low-lying sextet states derive from a 3d64s2 configuration on Fe, whereas the excited quartet states derive from a 3d74s1 configuration on Fe.

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