Deuterated and 15N ethyl cyanides (Margules+,

Physics – Atomic Physics

Scientific paper

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Atomic Physics

Scientific paper

The tables present the predicted line-center frequency and line strength of rotational transitions for the 15N-isotopologue of ethyl cyanide (CH3CH2C15N) and of its deuterated isotopologues: CH3CHDCN, CH2DCH2CN in-plane and out-of-plane, up to 1THz and for J<100. The frequencies are calculated using a Watson's Hamiltonian in A-reduction in Ir representation.
The error on the frequency given in the tables is the standard deviation. To get a more realistic estimation of the error it must be multiplied by a factor 3, for the strongest lines to 10, for the weakest lines. However, the general trend is that for the lines that are the most suitable for interstellar detection, i.e. the strongest lines having J value up to ~50 and a low Ka value, the error on the predicted frequencies is a few hundred kHz, suitable for line identification in the interstellar spectra. The error is larger for the weakest lines and increases as J and Ka become larger, i.e., as the frequency increases.
(4 data files).

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