Lecture 5 - 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 obtained through Linear Combination of Atomic Orbitals (LCAO) • Electrons spread over the entire molecule: collective, roaming • Bonding orbitals are formed from the addition of AOs (constructive interference, lower energy than AOs) • Antibonding orbitals are formed from the subtraction of AOs (destructive interference, higher energy than AOs) • Filling of MO diagram obeys rules of AO diagram Linear Combination of Atomic Orbitals Linear Combination of Atomic Orbitals (LCAO) (LCAO) 1. n atomic orbitals Æ n molecular orbitals. 2. Like atomic orbitals, MOs are ortho-normal ) ...( 0 ) ...( 1 j i dv j i dv j i j i = = = ψ n n k c c c ϕ + + + = .... 2 2 1 1 Examples: H 2 2 1 2 1 1 1 / s s c c ± = + An analogy between light waves and atomic wave functions Bonding: wavefunction in
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Lecture 5 - Molecular Orbital Theory Chem 172 Advanced...

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