cis-HOCO
Oxyhydroxymethyl, carboxyl, X 2A', cis-isomer
Species tag 045518
Version1*
Date of EntryOct. 2013
ContributorH. S. P. Müller

The cis-isomer of oxyhydroxymethyl is about 7 kJ/mol or 800 K higher than the trans-isomer. As it is separated from it by a fairly high barrier, it may be observable in environments far from chemical equilibrium. Transitions with small quantum numbers were reported by
(1) T. Oyama, W. Funato, Y. Sumiyoshi, and Y. Endo, 2011, J. Chem. Phys. 134, 174303.
The predictions may be sufficiently accurate for the detection of the molecule in the cold ISM. Otherwise, transitions with J > 2 or Ka > 1 should be viewed with great caution because of the very limited data set. The predictions have been truncated considerably. The partition function includes levels sufficient for 300 K.
The ab initio dipole moment was reported in (1).

Lines Listed639
Frequency / GHz< 771
Max. J5
log STR0-8.0
log STR1-6.3
Isotope Corr.0.0
Egy / cm–1560.
 µa / D1.3
 µb / D1.3
 µc / D 
 A / MHz142958.7
 B / MHz11738.49
 C / MHz10830.14
 Q(300.0)26096.0906
 Q(225.0)16938.5269
 Q(150.0)9215.6305
 Q(75.00)3259.0561
 Q(37.50)1154.3656
 Q(18.75)409.9064
 Q(9.375)146.2434
 Q(5.000)57.9736
 Q(2.725)24.9403
detected in ISM/CSMno


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