1.4 Molecular Orbital Theory

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Molecular Orbital Theory of Diatomics

-Bonds result from the overlap of atomic orbitals.
-Orbital overlap simultaneously leads to the formation of both bonding and anti-bonding molecular orbitals.
-Constructive overlap results in the formation of lower energy bonding molecular orbitals.
-Destructive overlap results in the formation of higher energy anti-bonding molecular orbitals.

 

HOMO – Highest Occupied Molecular Orbital
LUMO – Lowest Unoccupied Molecular Orbital

bond order

The Hydrogen Molecule (Sigma Overlap of 1s Orbitals)

molecular orbitals hydrogen molecule

Pi Overlap of 2p Orbitals

pi overlap of 2p orbitals