(E)-HC2CHCHCN
(2E)-Penten-4-ynenitrile, (E)-1-cyanobut-1-ene-3-yne, (E)-cyanovinylacetylene
Species tag 077507
Version1*
Date of EntrySep. 2011
ContributorH. S. P. Müller

The experimental data have been taken from
(1) S. Thorwirth, M. C. McCarthy, J. B. Dudek, and P. Thaddeus, 2004, J. Mol. Spectrosc., 225, 93;
and from
(2) J. August, H. W. Kroto, D. McNaughton, K. Phillips, and D. R. M. Walton, 1988, J. Mol. Spectrosc., 130, 424.
No uncertainties were given for the lines in (2); based on the partial rms error, they were estimated to be 60 kHz.
b-type transitions cannot be predicted reliably at present. Moreover, they are very weak. Predictions may be sufficiently reliable if the uncertainties do not exceed 100 kHz.
14N hyperfine structure may be resolved for transitions with small quantum numbers. Therefore, a separate hyperfine calculation is provided up to J' = 10. NOTE: The partition function does take into account hyperfine splitting !
The experimental a-dipole moment component is from (2).

Lines Listed3839
Frequency / GHz< 250
Max. J87
log STR0-8.0
log STR1-5.0
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D3.82
 µb / D 
 µc / D 
 A46226.
 B1472.154
 C1426.249
 Q(300.0)266728.3571
 Q(225.0)173255.9962
 Q(150.0)94316.8100
 Q(75.00)33352.3118
 Q(37.50)11795.6268
 Q(18.75)4172.9619
 Q(9.375)1477.1705
 Q(5.000)576.5764
 Q(2.725)232.8727
detected in ISM/CSMyes


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