Molecular Orbitals for Heterogeneous Diatomic Molecules

A simple approach to molecular orbital (MO) theory for heterogeneous diatomic molecules is to show the energy level diagram. The MO energy levels can be worked out following these steps:

Molecular Orbital Diagram for H-F

Interaction occurs between the 1s orbital on hydrogen and the 2p orbital in fluorine causing the formation of a sigma-bonding and a sigma-antibonding molecular orbital, as shown below

Molecular Orbital Theory

This link gives an excellent explanation for the MO theory, and it is worth yuor studying.