The microwave spectrum of monochloroacetic acid

Abstract

The microwave spectrum, rotational constants and centrifugal distortion parameters for CH235ClCOOH are reported. The nuclear quadrupole coupling constants are: χaa = −47.5 ± 1.4 MHz, χbb = 10.4± 0.7 MHz, χcc = 37.1 ± 1.2 MHz, and the dipole moment components: μa = 1.658 ±0.008 D, μb = 2.112 ± 0.006 D (μ = 2.685 ±0.006 D). From a-substitution coordinates of the Cl atom and the carboxyl H atom the chain of atoms Cl-C-C-O-H is shown to be planar and zig-zag. An estimate of the torsional frequency is given.