Bonding in phosphorus ylides: topological analysis of experimental charge density distribution in triphenylphosphonium benzylide

Abstract

The topological analysis of the experimentally determined charge density distribution in the semi-stabilized ylide Ph₃PCHPh revealed the multiple character and high ionicity of the ylide bond and a different role of the phenyl groups in charge delocalisation in the PPh₃ fragment. The analysis of intra- and inter-molecular contacts located the interactions which are responsible for the conformation of the molecule and determine the packing of the molecules in the crystal.