Frontier Molecular Orbital Thoery
Frontier Molecular Orbital theoryApart from electrostatic interactions, the overlap between orbitals may favour the reaction between an electron donor and an electron acceptor. A high (in energy) lying occupied orbital in the donor may overlap with a low lying empty one in the acceptor, leading to a net stabilization.
- the energy difference between the two orbitals involved (the smaller the better).
- the amount of overlap between the orbitals (the larger the better).
- steric effects which hinder overlap, or by
- asymmetry of a pi orbital, which favours overlap on that side where the orbital is larger.