Question

When applying molecular orbital theory to heteronuclear diatomic molecules, the atomic orbitals used may be of different energies. If two atomic orbitals of different energies make two molecular orbitals, how are the energies of the molecular orbitals related to the energies of the atomic orbitals? How is the shape of the resultant molecular orbitals related to the shape of the atomic orbitals?

Answer 1

The energies of the molecular orbitals are closer to the atomic orbitals with lower energy. The shape of the molecular orbitals is determined by the overlap of the atomic orbitals.

Step-by-step explanation:

When applying molecular orbital theory to heteronuclear diatomic molecules, the atomic orbitals used may be of different energies. In this case, the energies of the molecular orbitals will be closer to the atomic orbitals with lower energy.

For example, if element B is more electronegative than element A, the molecular orbitals will have energies closer to the atomic orbitals of element B.

The shape of the resultant molecular orbitals is related to the shape of the atomic orbitals. The overlap between the atomic orbitals determines the shape of the molecular orbitals.

If the atomic orbitals have similar shapes and good overlap, the resultant molecular orbitals will have a similar shape. If the atomic orbitals have different shapes or poor overlap, the molecular orbitals may have a different shape.