c. Internal rotation of the nitroso group in p-substituted nitrosoanilines by the density matrix line-shape method

Abstract

Density matrix theory has been applied to study the barrier to internal rotation about the Ar-NO bond in N,N-dimethyl-p-nitrosoaniline and N,N-diethyl-p-nitrosoaniline. Theoretical fits to experimental n.m.r. spectra have been obtained in the range - 30°C to +40°C. Activation parameters have been determined and compared with those obtained by more approximate methods.