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Submillimeter spectra of three isotopomers of propyne containing one $^{13}$Catom were recorded in natural isotopic composition in the region of 426 GHz to785 GHz. Additional measurements were carried out near 110 GHz. Combining thesewith earlier data resulted in greatly improved spectroscopic parameters whichpermit reliable extrapolations up to about 1.5 THz. Coupled clusterquantum-chemical calculations were carried out in order to assess thedifferences between equilibrium and ground state rotational parameters of theseand many other isotopic species to evaluate semi-empirical equilibriumstructural parameters. In addition, we estimated the main spectroscopicparameters of the isotopomers of propyne with two $^{13}$C atoms, which havenot yet been studied in the laboratory, but which may be detectable inastronomical sources with a large amount of $^{13}$C compared to the dominant$^{12}$C.

Rotational spectroscopy of singly $^{13}$C substituted isotopomers of propyne and determination of a semi-empirical equilibrium structure