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Presentation16_061101

Presentation16_061101 - Chem 6A Presentation#16 Overview...

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Chem 6A Presentation #16 2006-11-01/03 1 Overview Chapter 3: Chemical Bonds Molecular orbital (MO) theory Shapes of MOs Bonding vs antibonding MOs Energy-level diagrams Predicting bond order and magnetic properties
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2 Molecular orbital theory Molecular orbital theory holds that: Electrons in a molecule are spread out ( delocalized ) over 2 or more atoms in molecular orbitals ( MOs ). Molecular orbitals: are approximate solutions of Schrödinger's equation for one or more electrons and two or more nuclei. can be calculated (approximately) by mathematically combining atomic orbitals (AOs) ɸ linear combinations of atomic orbitals (LCAOs)
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3 Molecular orbital theory “Adding” AOs yields bonding MOs . “Subtracting” one AO from another yields antibonding MOs . Antibonding MOs have a node (a plane of zero electron density) between the nuclei.
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4 Molecular orbital theory Example: H 2 Molecular orbitals for H 2 : Sigma ( σ ) MOs are cylindrically symmetrical about a line connecting the bonded nuclei.
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