i-C3H7CN, v30 = 1
iso-Propyl cyanide, iso-butyronitrile, v30 = 1
Species tag 069516
Version1*
Date of EntryApr. 2017
ContributorH. S. P. Müller

The state v30 = 1 is the lowest one. It is quite isolated. The experimental data have been taken from
(1) B. E. Arenas, S. Gruet, A. L. Steber, B. M. Giuliano, and M. Schnell, 2017, Phys. Chem. Chem. Phys., 19 1751.
Initial parameters were taken from
(2) H. S. P. Müller, A. Coutens, A. Walters, J.-U. Grabow, and S. Schlemmer, 2011, J. Mol. Spectrosc., 267 100. Assignments are a tad different here with added asymmetry components. One line was omitted because it was somewhat away from the predictions.
14N hyperfine splitting may be resolvable for some transitions at MW frequencies, but is unlikely to be resolved in astronomical observations. The HFS pattern is expected to be very close to that of the ground vibrational state, see e069506.cat.
Predictions should be sufficient for secure identification in the ISM up to 200, possibly 300 GHz. They have been truncated at J = 50. Predictions with calculated uncertainties exceeding 0.2 MHz should be viewed with caution.
NOTE: The partition function does not take into account any vibrational corrections yet. Information for a posteriori correction should be provided soon.
The dipole moment components were assumed to agree with those of the main species, see e069506.cat.

Lines Listed6375
Frequency / GHz< 300
Max. J50
log STR0-8.0
log STR1-6.0
Isotope Corr.0.0
Egy / (cm–1)197.
 µa / D4.022
 µb / D0.619
 µc / D 
 A7896.75
 B3980.03
 C2899.86
 Q(300.0)91881.5700
 Q(225.0)59641.8885
 Q(150.0)32446.4466
 Q(75.00)11467.3474
 Q(37.50)4055.4405
 Q(18.75)1435.3340
 Q(9.375)508.6729
detected in ISM/CSMno


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