Abstract
Electronic and steric properties of the newly developed biaryl phosphacycles were quantified from various experimental and theoretical methods. These include user-friendly and rapid packages such as Solid-G, SambVca, and FindConeAngle for the unique steric parameterisation studies of phospho-selenides. Electronic descriptors derived from the 31P–77Se coupling constants (1JP–Se), C–O stretching frequency (νCO), computed bond enthalpies (ΔE), and molecular electrostatic potentials (Vmin) exhibited moderate to good correlations.