| Full text | |
| Author(s): |
Ornellas, F. R.
[1]
;
Andreazza, C. M.
;
Almeida, A. A. de
Total Authors: 3
|
| Affiliation: | [1] Universidade de São Paulo (USP). Instituto de Química - Brasil
Total Affiliations: 3
|
| Document type: | Journal article |
| Source: | ASTROPHYSICAL JOURNAL; v. 538, n. 2, p. 675-683, Aug. 2000. |
| Field of knowledge: | Physical Sciences and Mathematics - Chemistry |
| Abstract | |
The A (2)Sigma(+) and X(2)Pi electronic states of the SiP species have been investigated theoretically at a very high level of correlation treatment (CASSCF/MRSDCI). Very accurate potential energy curves are presented for both states, as well as the associated spectroscopic constants as derived from the vib-rotational energy levels determined by means of the numerical solution of the radial Schrodinger equation. Electronic transition moment function, oscillator strengths, Einstein coefficients for spontaneous emission, and Franck-Condon factors for the A(2)Sigma(+)-X(2)Pi system have been calculated. Dipole moment functions and radiative lifetimes for both states have also been determined. Spin-orbit coupling constants are also reported. The radiative lifetimes for the A(2)Sigma(+) state, taking into account the spin-orbit diagonal correction to the X(2)Pi state, decrease from a value of 138 ms at v' = 0 to 0.48 ms at v' = 8, and, for the X(2)Pi state, from 2.32 s at v " = 1 to 0.59 s at v " = 5. Vibrational and rotational transitions are expected to be relatively strong. (AU) | |