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:

(a) 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 $2s-orbital$.
(b) The combining atomic orbitals must have proper orientations to ensure that the overlap is maximum.
(c) The extent of overlapping should be large.