lect21_reel5_3pg - Molecular Orbital Theory and Charge...

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1 Molecular Orbital Theory and Molecular Orbital Theory and Charge Transfer Excitations Charge Transfer Excitations Chemistry 123 Spring 2008 Dr. Woodward H 1s Orbital Molecular Orbital Diagram H 2 Energy H 1s Orbital Bonding Molecular Orbital (Orbitals interfere constructively) Antibonding Molecular Orbital (Orbitals interfere destructively) Orbital overlap Orbital overlap – Constructive Interference + -4 -3 -2 -1 0 1 2 3 4 z (Angstroms) Wavefunction ( ) Bonding Overlap 1s Atom 1 1s Atom 2 Atom (2) Atom (1) Constructive Interference Between the nuclei the wavefunctions add together. Electron density maximized in the internuclear region. This type of overlap leads to formation of a covalent bond. =
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