Open Access

Table A.5

JPL/CDMS catalog line list for trans vinyl isocyanate.

vcalc (MHz)a ucalc (MHz)b Log(Int)c DRd Elow (cm−1)e guppf TAGg QNFMTh J J
4784.2235 0.0002 −7.9908 3 0.0000 3 69520 303 1 0 1 0 0 0
5121.9296 0.0028 −8.0323 3 10.5300 21 69520 303 10 1 10 11 0 11
5439.2173 0.0030 −7.9046 3 14.3358 27 69520 303 13 0 13 12 1 12
5933.7122 0.0169 −8.0585 3 263.6818 111 69520 303 55 3 53 56 2 54
7077.2898 0.0183 −7.9264 3 281.9165 117 69520 303 58 2 56 57 3 55
8426.1650 0.0073 −7.5472 3 97.5187 69 69520 303 34 1 33 33 2 32
9477.2707 0.0003 −7.2256 3 2.1659 5 69520 303 2 1 2 1 1 1
9568.3370 0.0003 −7.0882 3 0.1596 5 69520 303 2 0 2 1 0 1
9659.7256 0.0003 −7.2091 3 2.1689 5 69520 303 2 1 1 1 1 0

Notes. (a)Predicted frequency. (b)Predicted uncertainty of the frequency. (c)Base 10 logarithm of the integrated intensity at 300 K in units of nm2 MHz.(d)Degrees of freedom in the rotational partition function. (e)Lower state energy. (f)Upper state degeneracy. (g)Species tag or molecular identifier. (h)Format of the quantum numbers. The key parameters used in the generation of this table: µa = 2.047 D, µb = 0.824 D, T = 300 K, and Qrot = 62500.3370 which takes into account the ground vibrational states of both isomers. Predictions of a-type transitions should be reliable up to J = 68 for Ka = 0 − 5 and J = 44 for Ka = 6, which correspond to the data sets encompassed in this work and interpolations between them. Predictions with Ka > 6 are not recommended for use and Ka < 6 beyond 330 GHz should be viewed with caution due to possible perturbations. This table is available in its entirety in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgibin/qcat?J/A+A/. A portion is shown here for guidance regarding its form and content. The table will be also available in CDMS.

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