HOCO+
Oxyhydroxymethylium
Species tag 045522
Version1*
Date of EntryJuly 2017
ContributorH. S. P. Müller

The entry is based on a recent report by
(1) L. Bizzocchi, V. Lattanzi, J. Laas, S. Spezzano, B. M. Giuliano, D. Prudenzano, C. Endres, O. Sipilä, and P. Caselli, 2017, Astron. Astrophys. 602, Art. No. A34.
As in that study, additional data were taken from
(2) M. Bogey, C. Demuynck, and J.-L. Destombes, 1986, J. Chem. Phys. 84, 10.
and from
(3) M. Bogey, C. Demuynck, J.-L. Destombes, and A. Krupnov, 1988, J. Mol. Struct. 190, 465;
The ground state of HOCO+ is perturbed by the excited v5 = 1 state. Since the molecule has been detected thus far in cold environments only, transition frequencies with Ka = 3 and higher were omitted from the fit, and the predictions were limited to Ka ≤ 2.
Predictions with uncertainties larger than 0.2 MHz or b-type transitions with Ka = 2 should be viewed with caution.
The dipole moment was taken from a quantum chemical calculation in (1). Note that the values of the two components have essentially been interchanged with respect to earlier calculations.

Lines Listed954
Frequency / GHz< 3778
Max. J73
log STR0-8.0
log STR1-5.0
Isotope Corr.-0.0
Egy / cm–10.0
 µa / D2.7
 µb / D1.8
 µc / D 
 A / MHz789947.8
 B / MHz10773.733
 C / MHz10609.431
 Q(300.0)2943.1892
 Q(225.0)1907.8101
 Q(150.0)1036.5509
 Q(75.00)366.0617
 Q(37.50)129.5848
 Q(18.75)46.6942
 Q(9.375)19.2639
 Q(5.000)10.0951
 Q(2.725)5.6571
detected in ISM/CSMyes


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