Question

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

Answer 1

The given conditions should be satisfied by atomic orbitals to form molecular orbitals:

1. The combining atomic orbitals must have the same or nearly the same energy. This means that in a homonuclear molecule, the 1s-atomic orbital of an atom can combine with the 1s-atomic orbital of another atom, and not with the 2s-orbital.
2. The combining atomic orbitals must have proper orientations to ensure that the overlap is maximum.
3. The extent of overlapping should be large.