C6H, v = 0
Hexatriynyl, X 2Πi, v = 0
Species tag 073501
Version2*
Date of EntryDec. 2023
ContributorH. S. P. Müller

Version 1 of Nov. 2005 was revised considerably. A combined fit of v = 0, v11 = 1 μ2Σ, and v11 = 1 2Δ was performed. The initial millimeter data were reported by
(1) H. Linnartz, T. Motylewski, O. Vaizert, J. P. Maier, A. J. Apponi, M. C. McCarthy, C. A. Gottlieb, and P. Thaddeus, 1999, J. Mol. Spectrosc. 197, 1.
Initial hyperfine split 2Π3/2 FTMW data were published by
(2) M. C. McCarthy, W. Chen, A. J. Apponi, C. A. Gottlieb, and P. Thaddeus, 1999, Astrophys. J. 520, 158.
Further hyperfine split FTMW data were published by
(3) C. A. Gottlieb, M. C. McCarthy, and P. Thaddeus, 2010, Astrophys. J. Suppl. Ser. 189, 261.
Perturbations between v = 0 and v11 = 1 μ2Σ appear to be negligible. The parameter bF was identical within uncertainties for the three vibrational states, and the values were thus locked to the same value. Additional distortion parameters were applied in comparison to (1). The calculation was truncated at 300 GHz, transition frequencies should be reliable up to that frequency.
At low frequencies, the 1H hyperfine splitting was resolved both in the laboratory and in space. Therefore, a separate calculation with hyperfine splitting is available up to 50 GHz. NOTE: the partition function does take into account the hyperfine splitting as well as the two excited vibrational states!
The dipole moment is from an ab initio calculation by
(4) D. E. Woon, 1995, Chem. Phys. Lett. 244, 45.
Please note that the dipole moment may be slightly overestimated because of some mixing between the 2Πi and the 2Σ state.

Lines Listed426
Frequency / GHz< 300
Max. J108
log STR0-7.5
log STR1-3.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D5.54
 µb / D 
 µc / D 
 A 
 B1391.187
 C 
 Q(300.0)79587.4706
 Q(225.0)57489.5020
 Q(150.0)35681.9005
 Q(75.00)14787.7675
 Q(37.50)5599.3939
 Q(18.75)2014.6292
 Q(9.375)732.6493
 Q(5.000)325.3491
 Q(2.725)171.9242
detected in ISM/CSMyes


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