Analysis of the millimeter-wave spectrum of allyl cyanide

Abstract The ground state rotational spectra of the cis and gauche forms of allyl cyanide have been measured up to 250 GHz. High J transitions have been assigned for the two isomers and accurate centrifugal distortion constants have been determined. The order of magnitude of the centrifugal distortion constants is discussed. New methods for the analysis of the rotational spectra are proposed. The influence of leverage points is emphasized and a test for their detection is described. It is shown that the bootstrap and jackknife methods give results in good agreement with the traditional least-squares method.