1.4 Molecular Orbital Theory of Diatomics

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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