Vibrational force field and normal mode analysis of N,N-dimethylacetamide

Abstract

A simple general valence force field has been refined for N,N-dimethylacetamide which includes both in-plane and out-of-plane modes. This force field gives good agreement between observed and calculated frequencies for this molecule and three of its deuterated derivatives, thus providing a good basis for the refinement of a force field for the imide group in polypeptides and proteins.