CH2DC4H
1,3-Pentadiyne, methyldiacetylene, deuterated at C5
Species tag 065520
Version1*
Date of EntryDec. 2025
ContributorH. S. P. Müller

The experimental transition frequencies are from astronomical observations by
(1) C. Cabezas, R. Fuentetaja, E. Roueff, M. Agúndez, B. Tercero, N. Marcelino, J. R. Pardo, P. de Vicente, and J. Cernicharo, 2022, Astron. Astrophys. 657, L5.
The rotational parameter A was taken from a quantum chemical calculation in (1). Some spectroscopic parameters (DK, HKJ, and HJK) were estimated from the main species and from CH2DCCH. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with great caution. Transition frequencies with K > 1 should be viewed with caution throughout.
The a-dipole moment component was assumed to agree with the dipole moment of the main species, see e064507.cat.

Lines Listed716
Frequency / GHz< 120
Max. J30
log STR0-8.5
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D1.207
 µb / D 
 µc / D 
 A120899.4
 B1965.911
 C1958.018
 Q(300.0)40663.1631
 Q(225.0)26403.8655
 Q(150.0)14368.7925
 Q(75.00)5079.5515
 Q(37.50)1796.3510
 Q(18.75)635.5843
 Q(9.375)225.0790
 Q(5.000)87.9567
 Q(2.725)36.2499
detected in ISM/CSMyes


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