C4H, v6 = v7 = 1
Butadiynyl, v6 = v7 = 1, 2Σ
Species tag 049516
Version1*
Date of EntryFeb. 2020
ContributorH. S. P. Müller

Transition frequencies were reported by
(1) A. L. Cooksy, C. A. Gottlieb, T. C. Killian, P. Thaddeus, N. A. Patel, K. H. Young, and M. C. McCarthy, 2015, Astrophys. J. Suppl. Ser. 216, Art. No. 30.
The uncertainties of the centimeter data from (1) appear to be too conservative and were reduced. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution.
The vibrational energy was taken from
(2) F. J. Mazzotti, R. Raghunandan, A. M. Esmail, M. Tulej, and J. P. Maier, 2011, J. Chem. Phys. 134, Art. No. 164303.
The dipole moment was assumed to be the same as in the X 2Σ+ ground vibrational state, see e049503.cat. This assumption may be reasonable.
The partition function of the main species takes into account all states presently available in the CDMS. It is converged fairly well up to about 150 K. Vibrational contributions to the partition function are also available. These should be viewed cautiously because of several estimates concerning vibrational energies.

Lines Listed255
Frequency / GHz< 600
Max. J63
log STR0-9.3
log STR1-5.5
Isotope Corr.-0.0
Egy / (cm–1)564.8
 µa / D2.1
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4760.851
 C / MHz 
 Q(300.0)15542.2130
 Q(225.0)8848.3936
 Q(150.0)4095.2962
 Q(75.00)1420.6195
 Q(37.50)660.0312
 Q(18.75)329.7446
 Q(9.375)165.5392
 Q(5.000)88.9165
 Q(2.725)49.0805
detected in ISM/CSMno


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