c-C6H5OH
Phenol, hydroxybenzene
Species tag 094501
Version1*
Date of EntrySep. 2013
ContributorH. S. P. Müller

Phenol tunnels between two equivalent minima. The tunneling splitting is small because the tunneling barrier is high. The transition frequencies were summarized by
(1) L. Koslesniková, A. M. Daly, J. L. Alonso, B. Tercero, and J. Cernicharo, 2013, J. Mol. Spectosc. 289, 13.
The data set contained some tunneling-rotation transitions from
(2) E. Mathier, D. Welti, A. Bauder, and H. H. Günthard, 1971, J. Mol. Spectosc. 37, 63;
and some weak pure rotational transitions from
(3) C. Tanjaroon and S. G. Kukolich, 2009, J. Phys. Chem. A 113, 9185.
The pure rotational transitions obey a-type selection rules, the tunneling-rotation transition obey b-type selection rules. Four equivalent H nuclei cause a 5 : 3 intensity alteration for transitions with Ka + vt being being even and odd, respectively. The "errors" in (3) were assumed to be 3σ uncertainties. About half of the lines weighted out in (1) were weighted in because of small residuals of the blends; several of these were modified. Some lines with large residuals were omitted from the fit. The uncertainty used for most of the lines from (1) (30 kHz) were close to the implicitely assumed value of 35 kHz. Some sextic distortion parameters were used in the present fit. Predictions with uncertainties larger than 0.5 MHz should be viewed with caution. This is not of importance for astronomical observations.
The dipole moment was derived from experiments by
(4) N. W. Larsen, 1979, J. Mol. Struct. 51, 175.

Lines Listed133852
Frequency / GHz< 750
Max. J196
log STR0-13.0
log STR1-8.0
Isotope Corr.-0.030
Egy / (cm–1)0.0 / 0.002
 µa / D-0.133
 µb / D1.217
 µc / D 
 A / MHz5650.496
 B / MHz2619.249
 C / MHz1789.850
 Q(300.0)1362478.9487
 Q(225.0)884859.3924
 Q(150.0)481618.0667
 Q(75.00)170284.7969
 Q(37.50)60222.4642
 Q(18.75)21306.6243
 Q(9.375)7543.8899
 Q(5.000)2945.7783
 Q(2.725)1190.6526


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