aG'g-CH3CHOHCH2OH
1,2-Propanediol, aG'g conformer
Species tag 076513
Version2*
Date of EntryAug. 2014
ContributorsH. S. P. Müller
J.-B. Bossa

Rotational spectra of several conformers of 1,2-propanediol have been studied very recently by
(1) F. J. Lovas, D. F. Plusquellic, B. H. Pate, J. L. Neill, M. T. Muckle, and A. J. Remijan, 2009, J. Mol. Spectrosc. 257, 82.
The aG'g conformer was found to be the lowest one with the gG'a conformer calculated to be 106 K higher in energy and the g'G'g conformer 165 K higher. Other conformers were calculated to be more than 300 K higher.
With respect to the first entry from Nov. 2009, extensive new data were reported by
(2) J.-B. Bossa, M. H. Ordu, H. S. P. Müller, F. Lewen, and S. Schlemmer, 2014, Astron. Astrophys. 570, Art. No. A12.
In addition, low frequency data from (1) were used with two modifications as indicated in (2). Further low frequency data were taken from
(3) T. J. L. Lockley, J. P. I. Hearn, A. K. King, and B. J. Howard, 2002, J. Mol. Struct. 612, 199.
The predictions are expected to be sufficient for all astronomical observations. Predictions with uncertainties larger than 0.3 MHz should be viewed with caution.
The dipole moment was determined in (1).

Lines Listed72846
Frequency / GHz< 1000
Max. J153
log STR0-10.0
log STR1-7.0
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D1.201
 µb / D1.916
 µc / D0.365
 A / MHz8572.057
 B / MHz3640.100
 C / MHz2790.973
 Q(300.0)94071.8451
 Q(225.0)61076.8684
 Q(150.0)33231.9893
 Q(75.00)11746.5963
 Q(37.50)4154.4175
 Q(18.75)1470.3530
 Q(9.375)521.0450
detected in ISM/CSMno


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