Chapitre 3 : Orbital Interaction Theory |
Page |
Relationship to Hartree-Fock Equations |
34 |
Hückel Approximation |
34 |
Case Study of a Two-Orbital Interaction |
35 |
Effect of Overlap |
44 |
Energetic Effect of Overlap |
44 |
Orbital Effect of Overlap |
44 |
First Look at Bonding |
45 |
Relationship to Perturbation Theory |
45 |
Generalizations for Intermolecular Interactions |
46 |
Energy and Charge Distribution Changes from Orbital Interaction |
47 |
Interactions between Molecules: Many Electrons, Many Orbitals |
52 |
Electrostatic Effects |
55 |
Group Orbitals |
56 |
Assumptions for Application of Qualitative MO Theory |
61 |
Example: Carbonyl Group |
62 |
Construction of Interaction Diagram |
62 |
Interpretation of Interaction Diagram |
65 |
Chemical Reactivity |
66 |
Why Does It Work and When Might it Not? |
69 |