Chapter 5Molecular Orbital Theory

Look at combinations of 1s wavefunctions:

Interactions of two s orbitals: H2

Interactions of two s orbitals: H2

Interactions of two p orbitals

Interactions of two p orbitals

Interactions of two p orbitals

Interactions of two p orbitals: MO Diagram

Interactions of two d orbitals

Interactions of two d orbitals

Homonuclear Diatomics

Orbitals of samesymmetry interact.

lower E orbital decreasesin E.

higher e orbital increases in E.

Orbital Mixing

Evidence?

Evidence: Photoelectron Spectroscopy

What about different atoms? How do you know relative atomic orbital energies?

More complicated: Using symmetry and LCAO’s H2O

More complicated: Using symmetry and LCAO’s H2O

More complicated: Using symmetry and LCAO’s H2O

CH4 Hybrid Orbitals: Predict Orbital Energies

CH4 Mos: LCAO’s for H’s in Td point group. Then relate those to C’s orbitals to predict MOs.