Figure 15.
Protocol for obtaining structures for comparison of steric parameters via an unrestricted (right) and a dihedral angles restricted model (left). In both cases, a phosphine oxide model was minimized using Spartan’16 and the P=O later replaced with a P–Pd bond of 2.280 Å. The structures thus obtained were then analyzed by the SambVca2.0 free web tool to determine the %Vbur and to create a steric map.