Nature of the N–P torsional process in aminophosphines: a theoretical interpretation

Abstract

A perturbational molecular orbital model and ab initio molecular orbital calculations indicate that the nitrogen geometry of H₂NPH₂ changes from trigonal planar to approximately tetrahedral when the dihedral angle is increased from 90 to 180°, thus implying that the topomerisation of aminophosphines is a hybrid process which comprises both N–P bond rotation and pyramidal inversion at nitrogen.