mos_extended_systems_s09 - MOs in one-dimensional arrays of...

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MO’s in one-dimensional arrays of like orbitals There will be as many MO’s as orbitals in the array. Every molecular orbital is characterized by a specific pattern of nodes, The lowest energy orbital will have zero nodes, the next highest will have one node, the next two, etc. The highest energy molecular orbital will have n-1 nodes, where n is the number of atomic orbitals involved. When symmetrical placement of a node causes it to fall on an atom, then that atom does not contribute to the molecular orbital. E
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MO patterns in some common systems Benzene π system Allyl π system C 3 H 5 + , C 3 H 5 . , C 3 H 5 - C C C H H H H H X C C C H H H H H
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Cation Neutral (radical) Anion Three parallel p atomic orbitals generates three B type molecular orbitals C C C H H H H H C C C H H H H H + D + C C C H H H H H D + C C C H H H H H D Formed in equal amounts because the terminal atoms contribute equally to the occupied HOMO in the anion. The red and blue carbons represent different carbon isotopes C C C H H H H H X + X - C C C H H H H H C C C H H H H H C H C H H C H H Three parallel p atomic orbitals MO’s and reactions of allyls
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