Question

Write the Important conditions required for the linear combination of atomic orbitals to form molecular orbitals.

Answer 1

1. The combining atomic orbitals should have comparable energies. For example, is orbital of one atom can combine with 1s atomic orbital of another atom, 2s orbital can combine with 2s orbital and so on.

2. The combining atomic orbitals must have proper orientations so that they are able to overlap to a considerable extent.

3. The extent of overlapping should be large.