HTML-Title|SiS-33, v=0-9
Species tag|061508
Species name|Si33S, v = 0 9
Species state|Silicon Monosulfide, 33S isotopic species, v = 0 9
image|PNG/SiS_cat.png
Version|1*
Date of Entry|Nov. 2019
Contributor|H. S. P. Müller
comments|Aug. 2022: The calculated
comments|intensities were wrong because of the wrong Q(300) value
comments|in the intensity file. The error was corrected.
comments|The range of excited states was extended with respect to the
comments|initial entry from Feb. 2007. The version number was retained.
comments|A global fit of data for all isotopic species and the
comments|experimental lines have been summarized in
comments|(1) H. S. P. Müller, M. C. McCarthy, L. Bizzocchi,
comments|H. Gupta, S. Esser, H. Lichau, M. Caris, F. Lewen, J. Hahn,
comments|C. Degli Esposti, S. Schlemmer, and P. Thaddeus,
comments|2007, Chem. Phys. Phys. Chem., 9, 1579.
comments|The newly recorded transitions extend to almost 1 THz
comments|and to high vibrational states. Previous pure rotational data
comments|from
comments|(2) E. Tiemann, E. Renwanz, J. Hoeft, and T. Törring,
comments|1972, Z. Naturforsch. 27a, 1566;
comments|and from
comments|(3) M. E. Sanz, M. C. McCarthy, and P. Thaddeus,
comments|2003, J. Chem. Phys., 119, 11715;
comments|as well as rovibrational data from
comments|(4) C. I. Frum, R. Engleman, Jr., and P. F. Bernath,
comments|1990, J. Chem. Phys., 93, 5457;
comments|and from
comments|(5) H. Birk and H. Jones,
comments|1972, Chem. Phys. Lett. 175, 536
comments|were also used in the fit.
comments|The predictions should be adequate up to about 2 THz.
comments|The dipole moment was assumed to agree with that of the main
comments|species, see e060506.cat.
comments|Vibrational states v ≤ 20 have been considered for
comments|the calculation of the partition function. The partition
comments|function is essentially converged at 2000 K; extrapolation
comments|is recommended for even higher temperatures.
comments|Note: the 33S
comments|hyperfine splitting may be resolvable at low value of J.
comments|Therefore, a
comments|
comments|separate hfs calculation is provided for J" up to 3.
comments|The partition function does take into account this
comments|splitting.
Lines Listed|1517
Frequency / GHz|< 3000
Max. J|175
log STR0|-20.0
log STR1|-23.0
Isotope Corr.|
Egy / cm1|0.0, 739.2288, ...
µa / D|1.735
µb / D|
µc / D|
A / MHz|
B / MHz|8949.214, 8905.981, ...
C / MHz|
Q(2000.)|46125.2413
Q(1500.)|27900.9074
Q(1000.)|14335.9143
Q(500.0)|5301.1378
Q(300.0)|2881.4732
Q(225.0)|2117.0802
Q(150.0)|1400.1274
Q(75.00)|699.9876
Q(37.50)|350.6229
Q(18.75)|175.9728
Q(9.375)|88.6599
Q(5.000)|47.9236
Q(2.725)|26.7555
detected in ISM/CSM|yes (at least v = 0)