RKRV Potential Energy Curves, Dissociation Energies, gamma-Centroids and Franck-Condon Factors Of YO, CrO, BN, ScO, SiO and AlO Molecules

Details RKRV Potential Energy Curves, Dissociation Energies, gamma-Centroids and Franck-Condon Factors Of YO, CrO, BN, ScO, SiO and AlO Molecules RKRV Potential Energy Curves, Dissociation Energies, gamma-Centroids and Franck-Condon Factors Of YO, CrO, BN, ScO, SiO and AlO Molecules

Mar 1998

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1998ap%26ss.262..223r&link_type=abstract

Astrophysics and Space Science, v. 262, Issue 2, p. 223-240 (1998).

Astronomy and Astrophysics

Astrophysics

10

Scientific paper

The potential energy curves for the electronic ground states of astrophysically important YO, CrO, BN, ScO, SiO and AlO molecules are constructed techniques using the five-parameter Hulburt-Hirschfelder function. The estimated dissociation energies are 7.235+/-0.15, 4.337 +/- 0.09, 3.917 +/- 0.09, 6.899 +/- 0.14, 8.181 +/- 0.17 and 5.202 +/- 0.11 eV for YO, CrO, BN, ScO, SiO and AlO, respectively. The estimated D_0 values are in reasonably good agreement with literature values. The r-Centroids and Franck-Condon factors for the bands of B^2 Sigma^+ - X^2 Sigma^+ of YO, B^5 Pi -X^5 Pi> of CrO, A^3 Pi - X^3 Pi of BN, B^2 Sigma^+ -X^2 Sigma^+ of ScO, E^1 Sigma^+ - X^1 Sigma^+ of SiO and D^2 Sigma^+ - X^2 Sigma^+ and B^2 Sigma^+ -X^2 Sigma^+ of AlO molecules have been determined. The Franck-Condon factors are evaluated by the approximate analytical method of Jarmain and Fraser. The absence of the bands in these systems is explained.

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