Recent advances in computational 31 P NMR: Part 2. Spin-spin coupling constants

Abstract

This is the second part of two closely related reviews dealing with the computation of ³¹ P nuclear magnetic resonance (NMR) parameters in a wide range of phosphorous containing compounds. The first part of this review concentrated primarily on the computation of ³¹ P NMR chemical shifts, whereas the second part concerns the calculation of spin-spin coupling constants involving phosphorus nucleus, focusing primarily on their stereochemical dependencies and stereodynamic behavior in particular classes of organophosphorus compounds. This review is dedicated to the Full Member of the Russian Academy of Sciences Professor Boris A. Trofimov in view of his invaluable contribution to the field of synthesis, NMR, and computation studies of organophosphorus compounds.

Keywords: computational P-31 NMR, spin; spin coupling constants.