CH3C5N
1-Cyano-2,4-pentadiyne, methylcyanodiacetylene
Species tag 089501
Version1
Date of EntrySep. 2002
ContributorH. S. P. Müller

The observed lines are from
(1) A. J. Alexander, H. W. Kroto, M. Maier, and D. R. M. Walton, 1978, J. Mol. Spectrosc. 70, 84; and from
(2) W. Chen, J.-U. Grabow, M. J. Travers, M. R. Munrow, S. E. Novick, M. C. McCarthy, and P. Thaddeus, 1998, J. Mol. Spectrosc. 192, 1.
Quadrupole splitting due to the 14N nucleus has been resolved in the lab for low J.
The purely K-dependent parameters (A and DK), needed to obtain reasonable intensities, were taken from CH3CN;
(3) R. Antilla, V.-M. Hornemann, M. Koivusaari, and R. Paso, 1993, J. Mol. Spectrosc., 157, 198.
The dipole moment is an estimate from
(4) M. Bester, K. M. T. Yamada, G. Winnewisser, W. Joentgen, H.-J. Altenbach, and E. Vogel, 1984, Astron. Astrophys. 137, L20.
Predictions above 150 GHz or with Ka > 10 should be viewed with caution. At low temperatures, it may be necessary to discern between A-CH3C5N and E-CH3C5N. The A states are described by K = 3n, the E states by K = 3n ± 1. The nuclear spin-weight ratio is 2 : 1 for A-CH3C5N with K > 0 and all other states, respectively. The JK = 11 state is the lowest E state. It is 5.2995 cm–1 above ground.

Lines Listed5599
Frequency / GHz< 203
Max. J130
log STR0-10.0
log STR1-5.0
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D5.4
 µb / D 
 µc / D 
 A158099.
 B778.040
 C = B
 Q(300.0)358481.4360
 Q(225.0)232795.6150
 Q(150.0)126695.1947
 Q(75.00)44788.4264
 Q(37.50)15871.0298
 Q(18.75)5786.7912
 Q(9.375)2241.2499
 Q(5.000)983.8953
 Q(2.725)467.0488
detected in ISM/CSMyes


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