H13CN, v2 = 1
Hydrogen Cyanide, 13C isotopic species, v2 = 1
Species tag 028511
Date of EntryNov 2014
ContributorH. S. P. Müller

The first entry from May 2006 has been revised considerably. Additional infrared data involving states v2 = 2 and 3 as well as v3 = 1 and v1 = 1 were included along with additional pure rotational data pertaining to v2 = 2 and 3.
Data for v = 0 and v2 = 1, including direct-l-type transitions up to J = 35 for v2 = 1, were reported in
(1) U. Fuchs, S. Brünken, G. W. Fuchs, S. Thorwirth, V. Ahrens, F. Lewen, S. Urban, T. Giesen, and G. Winnewisser, 2004, Z. Naturforsch. 59a, 861.
Additional v = 0 data come from
(2) G. Cazzoli and C. Puzzarini, 2005, J. Mol. Spectrosc. 233, 280;
and from
(3) F. Maiwald, F. Lewen, V. Ahrens, M. Beaky, R. Gendriesch, A. N. Koroliev, A. A. Negirev, D. G. Paveljev, B. Vohwinkel, and G. Winnewisser 2000, J. Mol. Spectrosc. 202, 166.
Further direct-l-type transitions 6 ≤ J ≤ 15 were published in
(4) M. Winnewisser and J. Vogt, 1978, Z. Naturforsch. 33a, 1323.
The 2nd entry also employs v2 = 2 and 3 rotational data from
(5) J. Preusser and A. G. Maki, 1993, J. Mol. Spectrosc. 162, 484.
The fit also takes into account the very extensive infrared data between the various vibrational states from
(6) A. G. Maki, G. C. Mellau, S. Klee, M. Winnewisser, and W. Quapp, 2000, J. Mol. Spectrosc. 202, 67.
The main improvement occured in the partition function, which is essentially converged at 300 K and probably still good up to about 500 K. The rotational part is well converged up to 1000 K. The frequencies are also better at higher values of J. Predictions above J = 60 and 66 should be viewed with some caution for direct-l-type and regular rotational transitions, respectively.
The dipole moment was assumed to be the same as for the main isotopic species; see e027503.cat.
Note: the spin multiplicity gI of 3 for the 14N nucleus has been considered in the calculation of the partition function and the upper state degeneracy gup.
The partition function takes into account all vibrational states used in the fit.

Lines Listed248
Frequency / GHz< 7245
Max. J86
log STR0-23.0
log STR1-23.0
Isotope Corr.-1.955
Egy / (cm–1)707.41
 µa / D2.9420
 µb / D 
 µc / D 
detected in ISM/CSMyes

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