HSC
Thiohydroxymethylidyne, X 2A'
Species tag 045508
Version1
Date of EntryAug. 2003
ContributorH. S. P. Müller

HSC about 166 kJ/mol higher in energy than HCS according to ab initio calculations in
(1) C. Ochsenfeld, R. I. Kaiser, Y. T. Lee, and M. Head-Gordon, 1999, J. Chem. Phys. 110, 9982.
Nevertheless, it has been observed in the laboratory by
(2) H. Habara and S. Yamamoto, 2000, J. Chem. Phys. 112, 10905.
The total dipole moment is from an ab initio calculation in (1). The a and b components were derived in (2) from relative intensity measurements. The uncertainties are probably several percent.

Lines Listed3968
Frequency / GHz< 3569
Max. J42
log STR0-7.5
log STR1-4.3
Isotope Corr.-0.0273
Egy / cm-10.0
 µa / D2.45
 µb / D0.95
 µc / D 
 A / MHz295038.9
 B / MHz22036.16
 C / MHz19564.22
 Q(300.0)10102.5107
 Q(225.0)6557.9723
 Q(150.0)3568.8448
 Q(75.00)1263.1767
 Q(37.50)448.2108
 Q(18.75)159.7271
 Q(9.375)57.5677
detected in ISM/CSMyes


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder