PUB - Publikationen an der Universität Bielefeld

A series of five ortho-phenylene-bridged phosphorus-silicon Lewis pairs was synthesized, with phosphorus bearing isopropyl groups while the substituents at the silicon atom vary (-CH3, -Cl, -F). Possible interactions between Lewis acid and base were investigated both experimentally (NMR, XRD) and theoretically to determine the influence of the different substituents. Calculated ortho-interaction energies (OIEs) show a stabilizing interactions between the acidic and basic units which were also found for the meta- and para-interaction energies (MIEs and PIEs, respectively), indicating stabilization resulting not from direct acid-base interaction but from electronic interactions through the ring. Further spectroscopic (NMR, XRD) and theoretical (NBO, QTAIM, SAPT) investigations confirmed the absence of direct interactions between silicon and phoshorus.