Molecular Orbitals - Chemistry

Molecular Orbitals - Chemistry

Molecular Orbitals An overview MO Theory Robert Mullikan won the Nobel Prize in 1966 for developing this theory. This theory describes the electrons in orbitals belonging to the entire molecule.

Molecular Orbitals A molecular orbital (MO) can hold a maximum of two electrons. A MO has a definite energy. We can represent an MO with an electrondensity cloud. LCAO

Linear Combination of Atomic Orbitals Whenever two atomic orbitals overlap, two molecular orbitals form. # in = # out

Energy is conserved, so One orbital will be lower in energy One orbital will be higher in energy

The Hydrogen Molecule The Two Orbitals * Antibonding orbital

Very little electron density between the nuclei Higher in energy Destabilizes bond formation Bonding orbital

Promotes bond formation Electron density is between the nuclei Lower in energy Bonding and Antibonding Orbitals MO Diagrams

H2 and He2 Complex MO Diagrams Bond Order

In MO theory, bond stability of a covalent bond is related to its bond order. Bond order = (# bonding electrons - # antibonding electrons) Bond order can be an integer or a fraction

Bond Order # of bonds 0 No bond exists

1 Single bond 2 Double bond

3 Triple bond Calculate Bond Order for He2+ Compare bond orders Which

would be more stable: He2 or He2+? Justify your answer.

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