o-c-SiC3
cyclic SiC3, oblate isomer, 1A1
Species tag 064516
Version1*
Date of EntryMay 2014
ContributorH. S. P. Müller

The molecule may be the second lowest energy isomer of SiC3. The experimental transition frequencies were taken from
(1) M. C. McCarthy, A. J. Apponi, and P. Thaddeus, 1999, J. Chem. Phys. 111, 7175.
Because of the very limited data (4 lines), centrifugal distortion parameters were estimated by
(3) H. S. P. Müller, 2014, unpublished.
A B3LYP/aug-cc-pwCQZ quantum-chemical calculation was performed, and d2 was adjusted based on other isotopologs with more data.
All predictions should be viewed with caution. Deviations below 1 MHz may occur for transitions with J up to 5.
The dipole moment is from an ab initio calculation by
(2) H. S. P. Müller and D. E. Woon, 2013, J. Phys. Chem. A 117, 13868.

Lines Listed435
Frequency / GHz< 200
Max. J25
log STR0-8.0
log STR1-6.0
Isotope Corr.-0.1401
Egy / (cm–1)0.0
 µa / D2.073
 µb / D 
 µc / D 
 A / MHz12474.3
 B / MHz11345.2
 C / MHz5936.2
 Q(300.0)15153.1132
 Q(225.0)9837.4139
 Q(150.0)5352.6161
 Q(75.00)1892.4606
 Q(37.50)669.7275
 Q(18.75)237.3499
 Q(9.375)84.3380
 Q(5.000)33.1435
 Q(2.725)13.5527
detected in ISM/CSMno


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