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03-23-2011 Lecture

03-23-2011 Lecture - Internuclear approach is along the z...

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Bonding in Homonuclear Diatomic Molecules Homonuclear Diatomic Molecule: A molecule composed of only two atoms in which both of the bonding atoms are of the same element H-H
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MO Diagram for Li 2 The 1s electrons are core electrons for Li, with the valence shell for the Li atom being 2s: 1s 2 2s 1 1s 2 2s 1 Core orbitals are not involved with bonding Valence orbitals overlap and are involved with bonding
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MO Diagram for Be 2
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Bonding with the p‐Block Atoms The bonding picture with the p-block atoms (B Ne) is more complicated due to electrons residing in the p-orbitals B: 1s 2 2s 2 2p 1 C: 1s 2 2s 2 2p 2 N: 1s 2 2s 2 2p 3 O: 1s 2 2s 2 2p 4 F: 1s 2 2s 2 2p 5 Ne: 1s 2 2s 2 2p 6 Along with the orbital overlap of the 2s orbitals, we need to account for bonding between the p-orbitals
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Bonding with the p‐Block Atoms σ Orbitals π Orbitals
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z p z - p z orbital overlap: notice that bond forms by interacting in-phase atomic orbitals Sigma Bond Formation Between p Orbitals
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Unformatted text preview: Internuclear approach is along the z axis z Resulting Sigma Bonding MO ( σ 2p ) Sigma Bond MOs Between P Orbitals Note where the nuclei are, and this MO has two nodes 2p z- 2p z orbital overlap is in-phase z 2p z + 2p z atomic orbitals Overlap is out-of-phase Sigma Antibond Formation ( σ 2p * ) Resulting σ 2p * antibonding molecular orbital 2p + 2p Wave functions that are out-of-phase interact to give antibonding molecular orbitals. Here, we show the interaction of two 2p z atomic orbitals (2p z + 2p z ) to form the σ 2p * MO. Z axis Z Z σ 2p * • There are three pairs of p orbitals and thus six MOs, a s, s*, 2 x p and 2 x p* 6 p AOs Combine to Make 6 MOs The 2 bonding π 2p orbitals are degenerate (same energy) Why? The 2 antibonding π * 2p orbitals are degenerate (same energy) Why? The Expected MO Diagram for B 2...
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