Lecture 6 - Molecular Orbital Theory Chem 172 Advanced...

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1 Chem 172 Advanced Inorganic Chemistry Lecture 5 Molecular Orbital Theory Molecular Orbital Theory Molecular Orbital Theory • Molecular orbitals are formed through Linear Combination of Atomic Orbitals (LCAO) ± Orbital symmetry match: proper symmetry for effective overlap ( σ , π bond) ± Orbital energy match: the closer the energy, the stronger the interaction Molecular Molecular Orbitals Orbitals from p from p Orbitals Orbitals In a simplified representation, we only consider atomic orbitals of same energy for the follow discussion of diatomic atoms. g (gerade): orbtital symmetric to inversion u (ungerade): orbtial antisymmetric to inversion (change sign on inversion) Molecular Molecular Orbitals Orbitals of Diatomic Molecules from of Diatomic Molecules from Period 1 and 2 Period 1 and 2 Orbital Mixing Orbital Mixing Orbtials of similar energy can interact when there is proper symmetry: ± Molecular orbital interaction ± Multiple atomic orbital interaction σ * u(2s) σ g(2p) σ * u(2p) π u(2p) π * g(2p) 2p 2s σ g(2s)
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This note was uploaded on 06/27/2010 for the course CHEMISTRY Chem 172 taught by Professor Duan,x. during the Spring '10 term at UCLA.

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Lecture 6 - Molecular Orbital Theory Chem 172 Advanced...

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