HC4CHS
Pentadiynethial
Species tag 094503
Version1*
Date of EntryFeb. 2018
ContributorH. S. P. Müller

Transition frequencies have been reported by
(1) M. C. McCarthy, L. Zou, and M.-A. Martin-Drumel, 2017, J. Chem. Phys. 146, Art. No. 154301.
Additional frequencies are from
(2) K. N. Crabtree, M.-A. Martin-Drumel, G. G. Brown, S. A. Gaster, T. M. Hall, and M. C. McCarthy, 2016, J. Chem. Phys. 144, Art. No. 124201.
The reported uncertainties from both sources were deemed to be slightly conservative; they have been adjusted. Predictions were truncated at J = 70 and Ka = 1 because of limitations in the experimental data. Larger quantum numbers were accessed for the determination of the partition function. The predictions should be sufficient for the identification of the molecule in dark clouds. Predictions with uncertainties larger than 0.05 MHz should be viewed with caution.
The dipole moment is from an ab initio calculation in (1).

Lines Listed378
Frequency / GHz< 120
Max. J70
log STR0-10.0
log STR1-5.7
Isotope Corr.-0.0464
Egy / (cm–1)0.0
 µa / D1.74
 µb / D0.84
 µc / D 
 A / MHz26863.60
 B / MHz979.184
 C / MHz943.939
 Q(300.0)175265.5245
 Q(225.0)113926.8571
 Q(150.0)62063.5351
 Q(75.00)21961.9173
 Q(37.50)7769.2858
 Q(18.75)2748.4984
 Q(9.375)972.6192
 Q(5.000)379.3795
 Q(2.725)153.0303
detected in ISM/CSMno


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