Normal-Coordinate Treatment of Acetic Acid Monomer and Dimer

Abstract

A normal-coordinate treatment was carried out for acetic acid monomer, dimer, and their deutero analogs. All of the in-plane and out-of-plane vibrations were calculated using a modified Urey–Bradley force field. On the basis of the calculated frequencies and the potential-energy distributions, assignments of vibrational spectra were made for these substances.