DC3N, v = 0
Cyanoacetylene, Propynenitrile; deuterated isotopolog, v = 0
Species tag 052508
Version2*
Date of EntryMar. 2008
ContributorH. S. P. Müller

The experimental frequencies have been reported by
(1) P. D. Mallinson and R. L. de Zafra, 1978, Mol. Phys. 36, 827; and by
(2) L. M. Tack and S. C. Kukolich, 1983, J. Chem. Phys. 78, 6512.
With respect to the Mar. 2005 entry, additional lines from the microwave region up to 900 GHz have been included. They were taken from
(3) H. Spahn, H. S. P. Müller, T. F. Giesen, J.-U. Grabow, M. E. Harding, J. Gauss, and S. Schlemmer, 2008, Chem. Phys. 346, 132.
Uncertainties of lines from (1) and (2) have been adjusted as described in (3).
The predictions should be reliable throughout.
At low values of J, 14N hyperfine splitting is resolvable. Therefore, a separate prediction considering 14N hyperfine splitting with J ≤ 12 is available. Moreover, an additional prediction considering 14N and D hyperfine splitting with J ≤ 3 has been provided. Note: The partition function does not include the spin-multiplicities of 14N and D ! Therefore, partition function values have to be multiplied by 3 and 9 when considering 14N hyperfine splitting only and 14N and D hyperfine splitting, respectively !
The following information had been provided with respect to the Sep. 2004 entry. The version number (1) had been retained.
The partition function does not include vibrational contributions. However, information on vibrational contributions to the partition function is available.
The dipole moment was taken from
(4) B. Coveliers, W. K. Ahmed, A. Fayt, and A. G. Maki, 1990, J. Mol. Spectrosc. 142 148.

Lines Listed135
Frequency / GHz<1136
Max. J135
log STR0-5.5
log STR1-5.5
Isotope Corr.-3.955
Egy / cm-10.0
 µa / D3.7408
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4221.581
 C / MHz 
 Q(500.0)2469.5018
 Q(300.0)1481.5213
 Q(225.0)1111.1362
 Q(150.0)740.8099
 Q(75.00)370.5424
 Q(37.50)185.4308
 Q(18.75)92.8808
 Q(9.375)46.6077
detected in ISM/CSMyes


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