The structure and conformation of 3-methylphosphacymantrene

Abstract

The proton NMR spectrum of 3-methylphosphacymantrene in a nematic solvent has been interpreted in terms of the molecular structure and conformation. The preferred conformation of the molecule appears to be the one where a C---H bond of the methyl group is perpendicular to the ring plane. The results are in accord with the bond polarisation hypothesis.