GGag'g'-CH2(OH)CH(OH)CH2OH
Glycerol, GGag'g' conformer
Species tag 092503
Version1*
Date of EntryApr. 2017
ContributorH. S. P. Müller

Rotational spectra of five conformers of glycerol were studied. The GGag'g' conformer is considered to be second lowest in energy, about 0.41 kJ/mol or 34 cm–1 or 49 K higher than the lowest energy form. Please note that its lines may be stronger because of the favorable dipole moment components. The data were published by
(1) V. V. Ilyushin, R. A. Motioyenko, F. J. Lovas, and D. F. Plusquellic, 2008, J. Mol. Spectrosc. 251, 129;
and by
(2) G. Maccaferri, W. Caminati, P. G. Favero, 1997, J. Chem. Soc. Faraday Trans. 93, 4115.
One line of (1) and three lines of (2) were omitted because of large residuals.
The predictions have been truncated at J = 50 and at 200 GHz because of limited experimental data. The predictions may be good enough for initial identifications in space. However, they should be viewed with caution if the predicted uncertainties exceed 200 kHz.
NOTE: The conformer was treated as an isolated species, i.e., its lowest energy state was set to zero. The partition function does not take into account any conformational or vibrational corrections.
The dipole moment was determined in (1).

Lines Listed9755
Frequency / GHz< 200
Max. J50
log STR0-10.0
log STR1-6.5
Isotope Corr.-0.0
Egy / (cm–1)(34)
 µa / D1.749
 µb / D0.901
 µc / D0.161
 A / MHz6258.34
 B / MHz2283.294
 C / MHz2015.899
 Q(300.0)163672.3979
 Q(225.0)106239.6710
 Q(150.0)57794.2540
 Q(75.00)20423.7337
 Q(37.50)7221.4272
 Q(18.75)2554.8440
 Q(9.375)904.6954
detected in ISM/CSMno


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