Structure and conformation of 4-nitrophenyl acetate from proton nuclear magnetic resonance of nematic solutions

Abstract

The 100 MHz proton spectrum of 4-nitrophenyl acetate dissolved in a nematic mesophase has been analysed to yield a set of partially averaged dipolar coupling constants, D_ij. These parameters are shown to be consistent with interconversion between two conformations with all carbon and oxygen atoms coplanar. It is also shown that the side chain conformation has one methyl C–H bond and the CO bond in an eclipsed arrangement.