HOCH2CN
Hydroxyacetonitrile
Species tag 057512
Version1*
Date of EntryMar. 2017
ContributorsL. Margulès
H. S. P. Müller

The lower state conformer of hydroxyacetonitrile is the doubly degenerate gauche conformer. Tunneling occurs between the symmetric and antisymmetric components. The tunneling components are connected via c-type transitions. The extensive mmw and sub-mmW data were published by
(1) L. Margulès, B. A. McGuire, M. L. Senent, R. A. Motiyenko, A. Remijan, J.C. Guillemin, 2017, Astron. Astrophys. J.,, in press.
The predictions should be sufficient for astronomical observations. Caution is advised if the predicted uncertainties exceed 200 kHz.
The 14N hyperfine splitting was deemed to be negligible for astronomical observations.
The dipole moment components were determined in (1) by means of quantum chemical calculations.

Lines Listed38530
Frequency / GHz< 1000
Max. J110
log STR0-8.0
log STR1-6.0
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D2.32
 µb / D-1.31
 µc / D1.23
 A33609.53
 B4838.014
 C4377.305
 Q(300.0)65375.6801
 Q(225.0)42296.9569
 Q(150.0)22866.8778
 Q(75.00)7939.2463
 Q(37.50)2713.8889
 Q(18.75)901.1494
 Q(9.375)285.4325
detected in ISM/CSMyes


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