trans-HOCO
Oxyhydroxymethyl, carboxyl, X 2A', trans-isomer
Species tag 045517
Version1*
Date of EntryOct. 2013
ContributorH. S. P. Müller

The trans-isomer of oxyhydroxymethyl is the lower energy form. Transitions with small quantum numbers were reported by
(1) T. Oyama, W. Funato, Y. Sumiyoshi, and Y. Endo, 2011, J. Chem. Phys. 134, 174303.
Field-free transitions with larger quantum numbers in the upper millimeter region were published by
(2) H. E. Radford, W. Wei, and T. J. Sears, 1992, J. Chem. Phys. 97, 3989.
Two assignment errors in (2) were corrected in
(3) T. J. Sears, H. E. Radford, and M. A. Moore, 1993, J. Chem. Phys. 98, 6624.
One 1 MHz typographical error in (2) was corrected here. In addition, one hyperfine component from (1) was omitted because of large residuals.
The predictions should be sufficiently accurate for the detection of the molecule in the cold ISM. Otherwise, a-type transitions as well as b-type transitions with Ka = 1 – 0 should be viewed with caution if the predicted uncertainties exceed 0.5 MHz. Other b-type transitions should be viewed with some to great caution throughout.
The ab initio dipole moment was reported in (1).

Lines Listed11750
Frequency / GHz< 1000
Max. J69
log STR0-7.5
log STR1-6.5
Isotope Corr.0.0
Egy / cm–10.0
 µa / D2.3
 µb / D1.3
 µc / D 
 A / MHz167768.2
 B / MHz11433.05
 C / MHz10686.90
 Q(300.0)24592.1788
 Q(225.0)15959.2718
 Q(150.0)8681.1846
 Q(75.00)3069.4729
 Q(37.50)1087.1193
 Q(18.75)386.0154
 Q(9.375)137.7229
 Q(5.000)54.7532
 Q(2.725)24.1946
detected in ISM/CSMno


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