Molecular Orbitals - Molecular Orbitals Chapter Outline 1...

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M olecular O rbitals
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2 Chapter Outline 1. Molecular Orbitals 2. Molecular Orbital Energy Level Diagrams 3. Bond Order and Bond Stability 4. Homonuclear Diatomic Molecules 5. Heteronuclear Diatomic Molecules 6. Delocalization and the Shapes of Molecular Orbitals
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3 Molecular Orbital Theory Combination of atomic orbitals on different atoms forms molecular orbitals (MO’s) so that electrons in MO’s belong to the molecule as a whole. Waves that describe atomic orbitals have both positive and negative phases or amplitudes. As MO’s are formed the phases can interact constructively or destructively.
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4 Molecular Orbitals There are two simple types of molecular orbitals that can be produced by the overlap of atomic orbitals. 1. Head-on overlap of atomic orbitals produces (sigma) orbitals. 2. Side-on overlap of atomic orbitals produces (pi) orbitals. Two 1s atomic orbitals that overlap produce two molecular orbitals designated as: . 1 1s or bonding molecular orbital 2. 1s * or antibonding molecular orbital.
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5 Molecular Orbitals Graphically these two orbitals look like this:
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6 Molecular Orbitals Energetically, the molecular orbitals split. 1. The 1s lies lower in energy. 2. The 1s * is higher in energy.
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7 Molecular Orbitals The head-on overlap of two corresponding p atomic orbitals on different atoms, say 2p x with 2p x produces: 1. bonding orbital 2. antibonding orbital x 2p * σ x 2p σ
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8 Molecular Orbitals Graphically, these orbitals look like this:
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9 Molecular Orbitals
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