The microwave spectrum, harmonic force field, structure, and dipole moment of propiolyl chloride

Abstract

The microwave spectra of four isotopic species of propiolyl chloride, HCCCOCl, have been measured for their ground and υ9 = 1 excited vibrational states. Values for the rotational constants, quartic centrifugal distortion constants, chlorine nuclear quadrupole coupling constants, and the molecular dipole moment have been obtained. The centrifugal distortion constants have been combined with vibrational wavenumbers from the literature to calculate an approximate harmonic force field. Effective and ground state average structures of the most abundant isotopic species, H12C12C12C16O35Cl, are presented.