Electron-coupled spin–spin coupling tensor for 31P in tetraethyldiphosphine disulfide

Abstract

The traceless part of the ³¹P–³¹P spin–spin coupling tensor was determined from a single crystal NMR study of tetraethyldiphosphine disulfide (TEPS). The electron‐coupled part of this tensor, obtained by subtracting the known dipolar part, admits of two assignments. These have different anisotropies (δ_I = +1491 Hz, δ_II = +5861 Hz). Both show approximate axial symmetry (η_I = 0.1, η_II = 0.02) about the P–P bond, supporting the intuitive notion that J coupling is primarily determined by the local sigma‐bonding electrons.