HC3N, ν3 band
Cyanoacetylene, Propynenitrile, ν3 band
Species tag 051522
Version1*
Date of EntryDec. 2011
ContributorH. S. P. Müller

The experimental frequencies have been reported by
(1) K. M. T. Yamada, R. Schieder, G. Winnewisser, and A. W. Mantz, 1980, Z. Naturforsch. 35a, 690.
v3 = 1 rotational transitions were also used in the fit. They were taken from
(2) M. E. Sanz, M. C. McCarthy, and P. Thaddeus, 2005, J. Chem. Phys. 122, Art.-No. 194319.
Predictions may be reliable up to J = 85. The absolute accuracy of the IR transitions was estimated to be better than 0.005 cm–1, the precision is about 0.002 cm–1.
The transition dipole moment was derived from intensity measurements by
(3) A. Jolly, Y. Benilan, and A. Fayt, 2007, J. Mol. Spectrosc. 242, 46.
NOTE: The partion function refers to the ground state only ! Vibrational contributions to the partition function are available for selected states.

Lines Listed191
Frequency / GHz<63080
Max. J96
log STR0-100.0
log STR1-8.7
Isotope Corr.0.0
Egy / cm–10, 2079.31
 µa / D0.020
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4549.059, 4535.119
 C / MHz 
 Q(300.0)1374.9098
 Q(225.0)1031.1809
 Q(150.0)687.5086
 Q(75.00)343.8929
 Q(37.50)172.1063
 Q(18.75)86.2186
 Q(9.375)43.2767
detected in ISM/CSMno


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