H2NNC
Isocyanamide
Species tag 042518
Version1*
Date of EntryOct. 2018
ContributorH. S. P. Müller

Isocyanamide tunnels between two equivalent minima as does the isoelectronic cyanamide, but the tunneling splitting is much smaller. Perturbations associated with the tunneling are smaller in isocyanamide, whereas vibration-rotation interaction is more pronounced. Selection rules are of a symmetry within the tunneling states and of c symmetry between the states.
The transition frequencies were taken from
(1) E. Schäfer, M. Winnewisser, and J. J. Christiansen, 1981, Chem. Phys. Lett., 81, 380;
and from
(2) E. Schäfer and M. Winnewisser, 1982, Ber. Bunsenges. Phys. Chem., 86, 780.
Some of the transitions omitted in (1) or (2) were used in the present fit. Transitions with a-type selection rules were omitted for Ka = 5 to 7 because of perturbations. The calculations include Ka = 5, but these are lower than observed by a about 0.2 MHz at low J increasing to about 0.65 MHz near 425 GHz. All other transition frequencies should be reliable. Calculations of c-type transitions were restricted to Ka = 1 ↔ 0. The available data should be sufficient for all astronomical observations.
The dipole moment components were calculated by
(3) H. S. P. Müller, 2018, unpublished.

Lines Listed1144
Frequency / GHz< 1000
Max. J65
log STR0-6.5
log STR1-3.5
Isotope Corr.-0.0
Egy / (cm–1)0.0 / 0.368
 µa / D3.8
 µb / D 
 µc / D1.4
 A282500.
 B10757.022
 C10527.45
 Q(300.0)19642.5642
 Q(225.0)12747.4830
 Q(150.0)6932.3383
 Q(75.00)2447.6272
 Q(37.50)863.9544
 Q(18.75)304.4965
 Q(9.375)106.8610
detected in ISM/CSMno


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