Af. Ruckstuhl et K. Dressler, A COMPUTER-ASSISTED ASSIGNMENT PROCEDURE FOR COMPLEX EMISSION-SPECTRAAPPLIED TO THE GK(1)SIGMA-G(+) STATE OF T2, Journal of molecular spectroscopy, 168(1), 1994, pp. 185-199
Citations number
17
Categorie Soggetti
Spectroscopy,"Physics, Atomic, Molecular & Chemical
Using Dieke's unpublished table of T2 emission wavenumbers, we search
for transitions involving the well-known B1SIGMA(u)+ vibration-rotatio
n levels as lower states. To make new assignments, we exploit the avai
lability of ab initio predictions of the higher singlet gerade states
of T2. Since, however, the calculated term values are generally saddle
d with systematic deviations from the ''true'' ones up to a few cm-1,
a new computer-assisted procedure is used to assign spectral lines and
to estimate new upper term values. The procedure can handle gaps in t
he set of measurements adequately. In addition, a rule for flagging an
y batch of dubious assignments is introduced. It is based on a statist
ical argument. Results on the GK1SIGMA(g)+ state of T2 serve to illust
rate the method. Since the B1SIGMA(u)+ term values have never been pub
lished, we have determined them from the known EF1SIGMA(g)+ --> B1SIGM
A(u)+ bands. (C) 1994 Academic Press, Inc.