Nature of the P-O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis

摘要

Analysis of the electron density function and the ELF on the basis of the high resolution diffraction X-ray investigation of Ph2P(O)OH at 110 K have revealed that, in the vicinity of the oxygen atom of the P=O group, three lone pairs in an antiperiplanar orientation in respect to OH and Ph substituents are localised. [References: 28]