c-C6H5CN
Benzonitrile, phenyl cyanide
Species tag 103501
Version1*
Date of EntryNov. 2009
ContributorH. S. P. Müller

The transition frequencies were taken from
(1) J. Casado, L. Nygaard, and G. O. Sørensen, 1971, J. Mol. Struct., 8, 211;
from
(2) E. Fliege, G. Bestmann, R.Schwarz, and H. Dreizler, 1981, Z. Naturforsch. A, 36, 1124;
from
(3) K. Vormann, U. Andresen, N. Heineking, and H. Dreizler, 1988, Z. Naturforsch. A, 43, 283;
and from
(4) G. Wlodarczak, J. Burie, J. Demaison, K. Vormann, and A. G. Császár, 1989, J. Mol. Spectrosc., 134, 297;
and from
(5) K. Wohlfahrt, M. Schnell, J.-U. Grabow, and J. Küpper, 2008, J. Mol. Spectrosc., 247, 119.
Uncertainties were used as published, except for those in 4, which were reduced from 50 to 25 kHz. Two lines from that work with large residuals were omitted. Uncertainties reported in (2), (3), and (5) are somewhat conservative.
Predictions with uncertainties exceeding 500 kHz should be viewed with caution.
Jan. 2018: 14N hyperfine splitting was resolved in part in the detected lines. Therefore, a separate hyperfine calculation is provided for J' ≤ 20 and frequencies below 54 GHz along with separate partition function values.
Spin-statistics have been considered in the calculation of the intensities. They are 5 : 3 for transitions with even and odd Ka, respectively.
The dipole moment was determined in (5).

Lines Listed23274
Frequency / GHz< 531
Max. J205
log STR0-8.5
log STR1-5.5
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D4.5152
 µb / D 
 µc / D 
 A5655.27
 B1546.875
 C1214.405
 Q(300.0)1075880.2043
 Q(225.0)698715.4828
 Q(150.0)380279.6630
 Q(75.00)134440.6577
 Q(37.50)47539.5151
 Q(18.75)16815.6164
 Q(9.375)5951.2363
 Q(5.000)2322.1453
 Q(2.725)937.3381
detected in ISM/CSMyes


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