High-Resolution Rotational Spectroscopy of 1-Cyclohexenacetonitrile

The pure rotational spectrum of a potential astromolecule, e.g., 1-cyclohexenacetonitrile, was investigated using the pulsed supersonic-jet Fourier-transform microwave spectroscopy. Rotational transitions belonging to three low-lying energy conformers of this molecule in the frequency range of 5 - 20 GHz were measured and assigned. Based on the analysis of the experimental spectra, accurate rotational constants, centrifugal distortion constants, and the 14N nuclear quadrupole coupling constants were determined. On the basis of the experimental rotational constants, partial effective structure (r0) of these three conformers were obtained. This study provides accurate rotational spectroscopic parameters of 1-cyclohexenacetonitrile that serves as a robust dataset for astronomical searches of this molecule in the interstellar medium.