MO%20Theory - Molecular Orbital Theory Involves delocalized...

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1 Molecular Orbital Theory Involves delocalized electrons We describe polar reactions with Highest Occupied Molecular Orbital and Lowest Unoccupied Molecular Orbital (HOMO-LUMO) Compare to VB Theory (localized hybrid orbitals; mix first, then bond) For example, methane has a very different “look” in molecular orbital theory and includes all atoms. MO Theory • Built out of atomic orbitals • Electrons are allowed to delocalize throughout the molecule • Usually, we can treat σ and Π separately; Π has higher energy than σ • Highest Occupied Molecular Orbitals are electron donors (Lewis Base—a high energy HOMO) • Lowest Unoccupied Molecular Orbital are electron acceptors (Lewis Acid—a low energy LUMO).
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2 The molecular orbitals (MOs) for the molecules that follow are constructed out of the atomic orbitals (AOs) of the valence shell. That is, the one 2s and the three 2p orbitals for second row elements. Hydrogen provides only the 1 s orbital. Count the electrons that each
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This note was uploaded on 03/01/2011 for the course CHEM 030.205 taught by Professor Klein during the Fall '09 term at Johns Hopkins.

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MO%20Theory - Molecular Orbital Theory Involves delocalized...

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