Microwave spectrum, structure, internal rotation, and nuclear quadrupole coupling constant tensor of acetyl chloride

Abstract

The microwave spectra of acetyl chloride and its 11 isotopic species were measured. A least-squares analysis of the observed frequencies gave the rotational, quartic centrifugal distortion constants, the diagonal components of the nuclear quadrupole coupling constant tensor χ, the barrier to methyl internal rotation, and the direction cosines of the internal rotation axis in the inertial axes system, simultaneously. The r s structure was well established from the moments of inertia calculated from the observed rotational constants. The molecular structure of acetyl chloride was compared with those of analogous molecules.