C6H, v11 = 1 2Δ
Hexatriynyl, X 2Πi, v11 = 1 2Δ
Species tag 073510
Version1*
Date of EntryDec. 2023
ContributorH. S. P. Müller

A combined fit of v = 0, v11 = 1 μ2Σ, and v11 = 1 2Δ was performed. The FTMW and millimeter data were published by
(1) C. A. Gottlieb, M. C. McCarthy, and P. Thaddeus, 2010, Astrophys. J. Suppl. Ser. 189, 261.
The parameter bF was identical within uncertainties for the three vibrational states, and the values were thus locked to the same value. One transition frequency with large residuals was omitted. The origin was kept fixed to the value from
(2) D. Zhao, M. A. Haddad, H. Linnartz, and W. Ubachs, 2011, J. Chem. Phys. 135, Art. No. 044307.
The calculation was truncated at 300 GHz, transition frequencies should be reliable up to that frequency.
At low frequencies, the 1H hyperfine splitting may be resolvable 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
(3) 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 Listed420
Frequency / GHz< 300
Max. J107
log STR0-7.0
log STR1-3.5
Isotope Corr. 
Egy / (cm–1)~46.77
 µa / D5.54
 µb / D 
 µc / D 
 A 
 B1395.705
 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