110328 - Molecular orbital theory (Chapter 12 458-468)...

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1 CHM3400 - Lecture 30 Mar 28 Molecular orbital theory (Chapter 12 458-468) Linear combination of atomic orbitals Bond order Molecular orbital diagrams Electron configurations Peptide bond
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2 Linear combination of atomic orbitals Visual representation of bonding between two H atoms: ) ( *) ( ) ( ) ( B A B A N N ψψ σ ψ = + = Atomic wavefunctions Ψ c.f. N = normalization
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3 Bond order Remember phases of the wavefunction: Bond order = ½ (no. of electrons in bonding MO - no. of electrons in antibonding MO) What is the bond order for H 2 ? ……… What is the bond order for He 2 , for He 2 + ? Electronic configuration: ( σ 1s ) 2
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4 Bond distance – bond energy Distance between nuclei Bond energy Bond distance
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5 p-orbital bonding and antibonding
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6 σ vs. π -bonding in homonuclear species Li 2 , B 2 , C 2 , N 2 O 2 and F 2 What about σ 1s ? Electronic configurations of Li 2 , B 2 , N 2 and O 2 .
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7 Electron configuration Which of these species are paramagnetic ( diamagnetic) ?
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This note was uploaded on 05/29/2011 for the course CHM 3400 taught by Professor Seabra during the Spring '08 term at University of Florida.

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110328 - Molecular orbital theory (Chapter 12 458-468)...

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