CN, v = 0, 1
Cyanogen, cyanide radical, 2Σ+, v = 0, 1
Species tag 026504
Version1*
Date of EntryMay. 2005
ContributorH. S. P. Müller

Data of all four stable isotopic species have been treated in one global fit. Pure rotational transitions were considered up to v = 3 while rovibrational transitions were included up to v = 4 – 3. This restriction was made to avoid the interactions between the ground and the first excited as well as that between the first and the second excited electronic states. Predictions of v = 0 and 1 data should be affected negligibly by this restriction.
The pure rotational lines for 12C14N were taken from
(1) T. A. Dixon and R. C. Woods, 1977, J. Chem. Phys., 67, 3956 (N" = 0, v = 1); from
(2) D. D. Skatrud, F. C. de Lucia, G. A. Blake, and K. V. L. N. Sastry, 1983, J. Mol. Spectrosc., 99, 35 (N" = 1, 2, v = 0 – 3); from
(3) M. A. Johnson, M. L. Alexander, I. Hertel, and W. C. Lineberger, 1984, Chem. Phys. Lett., 105, 374; (N" = 0, v = 2); from
(4) E. Klisch, T. Klaus, S. P. Belov, G. Winnewisser, and E. Herbst, 1995, Astron. Astrophys., 304, L5; and from
(5) E. Klisch, PhD thesis, Cologne, 1998; (N" = 6 – 8, v = 0 – 2).
Additional v = 0, N" = 0 – 2 data (estimated accuracies mostly 5 – 10 kHz) was kindly provided by
(6) C. A. Gottlieb, 2005, private communication. As these data may be submitted for publication at some later point, this data was not merged.
The pure rotational lines for 13C14N, v = 0 – 3, N" = 0, 1 were taken from
(7) M. Bogey, C. Demuynck, and J. L. Destombes, 1984, Can. J. Phys., 62, 1248; and from
(8) M. Bogey, C. Demuynck, and J. L. Destombes, 1986, Chem. Phys., 102, 141.
Rotational data on 12C15N is available only through interstellar observation reported by
(9) A. H. Saleck, R. Simon, and G. Winnewisser, 1994, Astrophys. J., 436, 176; (v = 0, N" = 0, 1).
Transitions with uncertainties larger than 100 kHz have not been merged.
Infrared transitions v = 1 – 0 for all four stable isotopic species by
(10) M. Hübner, M. Castillo, P. B. Davies, and J. Röpke, 2005, Spectrochim. Acta, A 61, 57;
as well as v = 2 – 1 to 4 – 3 for 12C14N; reported by
(11) V. Horká, S. Civis, V. Spirko, and K. Kawaguchi, 2004, Collect. Czech. Chem. Commun., 69, 73;
were also used in the fit.
In general, lines deviating from their calculated position by more than 3 times their uncertainties have been omitted from the final fit. It should be noted that the 12C14N, v = 1 – 0 transition frequencies of (10) and (11) differ on the average by 0.0033 cm–1 — the latter are higher and have been adjusted in the fit. The vibrational energies should be viewed with some caution because of this discrapancy.
Predictions for 12C14N may be reliable as far as provided. Nevertheless, we would recommend to view those significantly beyond 1 THz with some caution.
The dipole moment was taken from
(12) R. Thompson, and F. W. Dalby, 1968, Can. J. Phys. 46, 53;
the dipole moment was assumed to be the same for all vibrational states.
All vibrational states used in the fit have been considered for the calculation of the partition function. Contributions of the individual states are given in parentheses.

Lines Listed646
Frequency / GHz< 4487
Max. J40
log STR0-9.0
log STR1-7.5
Isotope Corr.-0.0
Egy / cm-10.0 / 2042.42
 µa / D1.45
 µb / D 
 µc / D 
 A / MHz 
 B / MHz56693.47 / 56171.10
 C / MHz 
 Q(500.0)1109.1081 (1105.9701, 3.1285, 0.0095)
 Q(300.0)664.0904 (664.0531, 0.0373)
 Q(225.0)498.4498 (498.4488, 0.0011)
 Q(150.0)332.9077 (332.9077)
 Q(75.00)167.4335 (167.4335)
 Q(37.50)84.7308 (84.7308)
 Q(18.75)43.4081 (43.4081)
 Q(9.375)22.7963 (22.7963)
 Q(5.000)13.2693 (13.2693)
 Q(2.725)8.5178 (8.5178)
detected in ISM/CSMyes (v = 0)


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