molecular orbital theory of homonuclear diatomic molecules

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Homonuclear diatomic molecules contain two atoms of the same element.

Molecular orbitals exhibit the same general properties as atomic orbitals, including a nodal structure.

The Molecular orbital diagram gives the list of molecular orbitals which are filled with the required number of electrons starting from the lowest energy level onward. Hunds maximum multiplicity rule is followed when filling electrons in degenerate levels, so two electrons in two degenerate levels will be unpaired.

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• Homonuclear diatomic molecules contain two atoms of the same element.
• Molecular orbitals exhibit the same general properties as atomic orbitals, including a nodal structure.
• The Molecular orbital diagram gives the list

• While the specific forms of the molecular orbitals (their dependence on r and z in a cylindrical coordinate system) are different for each molecule, their dependence on the angle f as denoted by the quantum number l and their g or u behaviour with respect to inversion are completely determined by the symmetry of the system. These properties are common to all of the molecular orbitals for homonuclear diatomic molecules.
• In addition, the relative ordering of the orbital energies is the same for nearly all of the homonuclear diatomic molecules.
• The first is that only AOs
• of the same energy overlap in homonuclear diatomic molecules.
• Thus we may construct a molecular orbital energy level diagram, similar to the one used to build up the electronic configurations of the atoms in the periodic table. The molecular orbital energy level diagram is as fundamental to the understanding of the electronic structure of diatomic molecules as the corresponding atomic orbital diagram is to the understanding of atoms.

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