The rotational analyses of the different bands raised no special difficulties
since rotational constants for and
states were available, at least for v=0 and v=1.
Thus, some 830 lines have been ascribed to the 0-0, 1-1, 2-1, 2-2, 3-2,
3-3, 4-3, 4-4, and 4-5 bands.
In order to reduce the observational data to a unique and consistent set of spectroscopic constants a simultaneous multiband, non-linear least-squares adjustment has been performed. Approximate values of the parameters are first entered in the model, producing series of level energies in the upper and lower states from which line positions are calculated. Then, comparison between observations and model predictions allows corrections to these values to be determined. The process is iteratively continued until the standard deviations of successive fits differ by less than a small, preset value. Three or four iterations are generally sufficient for convergence to be achieved.
The rotational energies for the levels v=0 to 5 of and
v=0 to 4 of
are given by the formulae (1) to (4), where
each parameter is expressed at
equilibrium as a polynomial expansion in
. The signs of the coefficients are defined as usual
[7, (Huber & Herzberg 1979)].
Thus, the wavenumbers of all 830 lines belonging to the nine
above-mentioned bands could be directly reduced to the set of effective
equilibrium constants given in Table 2.
It has been verified that the values found for the rotational constants
in the ground state are consistent, within one standard
deviation limits or better, with the values from
[13, Törring et al. (1988)].
In the final fit, the parameters were kept fixed at these values, which were
determined very accurately from the study of the microwave absorption spectrum.
The b parameter in
and spin-rotation parameters in
were left free to vary, since they appear as effective
in the present model which does not include hyperfine terms
(except bI.S).
Thus, small deviations are observed between the present values and the true
values reported previously for these
parameters
[2, (Bacis et al. 1973];
[5, Childs et al. 1986];
[13, Törring et al. 1988)].
The dependence
with v and N of the effective spin-rotation constant
in the upper state is found to be significant.
Values of the vibrational constants in and
states, and of the rotational constants in
are obtained,
one or two orders of magnitude more precise than earlier values.
This set of spectroscopic constants allows the positions
of the observed lines to be calculated to nearly the experimental
precision (the standard deviation of the fit is 0.009 cm-1).
It is expected to yield a realistic representation of the band spectrum up to
N's of about 90 in the range of the v's considered, and thus
to be useful for high resolution syntheses of S-type stellar spectra.
Line wavenumbers corresponding to the 14 bands with Franck-Condon
intensity factors greater than 0.10 have been calculated.
These data are available in electronic form (see footnote to the title).
Work is in progress at the LASIM concerning the red
and infrared
transitions.
Copyright The European Southern Observatory (ESO)