Molecular Orbital Theory
When simple bonding occurs between two atoms, the pair of electrons forming the bond occupies an MO that is a combination of the wave functions of the atomic orbitals of the two atoms involved.
When atoms combine to form a molecule, the number of orbitals in the molecule equals the number of orbitals in the combining atoms. When two very simple atoms, each with one atomic orbital, are combined, two molecular orbitals are formed. One is a bonding orbital, lower in energy than the atomic orbitals, and derived from their sum. It is called sigma. The other is an antibonding orbital, higher in energy than the atomic orbitals, and resulting from their difference.
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