Molecular orbitals are associated with an entire molecule, each contains a maximum of two electrons with opposite spins, each has a definite energy, electron density distribution can be visualized with contour diagrams
When two atomic orbitals (AO) overlap, two molecular orbitals (MO) form - a bonding MO and an antibonding MO
Sigma (σ) MOs have electron density in both molecular orbitals centered about the internuclear axis, the σ bonding MO is lower in energy than the σ* antibonding MO
Bond order = ½ (bonding electrons - antibonding electrons), BO = 1 for single bond, 2 for double bond, 3 for triple bond
The number of MOs = number of AOs, AOs of similar energy combine, as overlap increases, the energy of the bonding MO decreases and the energy of the antibonding MO increases
Pauli: each MO has at most two electrons, with opposite spins, Hund: for degenerate orbitals, each MO is first occupied singly before spin pairing occurs
Two ways p orbitals can overlap: end on (σ MO) or sideways (π MO)