CCH, v2 = 1
Ethynyl, v2 = 1
Species tag 025503
Version2*
Date of EntryJuly 2010
ContributorH. S. P. Müller

With respect to the first version of this entry from April 2004, the present one combines rotational and rovibrational data of several low-lying states. Ground state transitions were taken from
(1) H. S. P. Müller, T. Klaus, and G. Winnewisser, 2000, Astron. Astrophys. 357, L65;
from
(2) M. Padovani, C. M. Walmsley, M. Tafalla, D. Galli, and H. S. P. Müller, 2009, Astron. Astrophys. 505, 1199;
and from
(3) K. V. L. N. Sastry, P. Helminger, A. Charo, E. Herbst, and F. C. DeLucia, 1981, Astrophys. J. 251, L119.
See e025501.cat for comments on these data.
The v2 = 1 rotational lines were taken from
(4) D. R. Woodward, J. C. Pearson, C. A. Gottlieb, M. Guélin, and P. Thaddeus, 1987, Astron. Astrophys. 186, L14.
Data for v2 = 2, v3 = 1, and for v2 = v3 = 1 were published in
(5) T. C. Killian, C. A. Gottlieb, and P. Thaddeus, 2007, J. Chem. Phys. 127, Art. No. 114320.
ν3 infrared transitions were measured by
(6) H. Kanamori, K. Seki, and E. Hirota, 1987, J. Chem. Phys. 87, 73.
Data for the ν2 + ν3 band were given in
(7) K. Kawaguchi, T. Amano, and E. Hirota, 1988, J. Mol. Spectrosc. 131, 58.
Transitions for 5ν2 and the hot bands 5ν2 – ν2 and ν2 + ν3 – ν2 were published by
(8) H. Kanamori and E. Hirota, 1988, J. Chem. Phys. 89, 3962.
Additional spectroscopic parameters of states up to 2200 cm–1 were taken from
(9) Y.-C. Hsu, J.-M. Lin, D. Papoušek, and J.-J. Tsai, 1993, J. Chem. Phys. 98, 6690;
(10) Y.-C. Hsu, Y.-J. Shiu, and C.-M. Lin, 1995, J. Chem. Phys. 103, 5919;
(11) W.-Y. Chiang, Y.-C. Hsu, 1999, J. Chem. Phys. 111, 1454
;
or have been estimated from these data. NOTE: The parity has been adjusted to be compatible with the ground vibrational state. The anharmonic interaction between v2 = v3 = 1 and v2 = 5 can only be accounted for approximately using simple assumptions and has thus been ignored as in (8). As hyperfine structure data are available for some states it has been ignored in the energy file. This leads to small differences for the partition function values which can be neglected. Different l-components of a given vibrational state have been treated separately but will appear in the same entry as far as appropriate. Partition function values for only the ground vibrational state are given in parentheses. The partition function values are reliable up to 300 K, quite reasonable up to 500 K, and should be viewed with great caution at higher temperatures.
Predictions should be viewed with increasing caution above N" = 10.
The dipole moment is from an ab initio calculation by
(12) D. E. Woon, 1995, Chem. Phys. Lett. 244, 45.
It is assumed that vibrational changes are negligible; this may be incorrect. Transition dipole moments were estimated from calculated infrared intensities published by
(13) R. Tarroni and S. Carter, 2004, Mol. Phys. 102, 2167.

Lines Listed688
Frequency / GHz< 3465
Max. J40
log STR0-10.5
log STR1-7.5
Isotope Corr.-0.0
Egy / (cm–1)370.15
 µa / D0.770
 µb / D 
 µc / D 
 A 
 B43508.68
 C 
 Q(1000.)9027.3122 (1914.1407)
 Q(500.0)2085.3195 (956.6166)
 Q(300.0)815.4124 (574.2378)
 Q(225.0)520.4986 (430.9381)
 Q(150.0)304.5078 (287.6888)
 Q(75.00)144.7246 (144.4919)
 Q(37.50)72.9146 (72.9146)
 Q(18.75)37.1437 (37.1437)
 Q(9.375)19.2835 (19.2835)
 Q(5.000)10.9935 (10.9935)
 Q(2.725)6.7735 (6.7735)
detected in ISM/CSMyes


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