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Question

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

Solution
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(a) The energy of combining atomic orbitals should be approximately the same.

Thus, in case of homonuclear diatomic molecule, 1s orbital of an atom can combine with 1s orbital of second atom but not with 2s orbital of second atom.

(b) To ensure maximum overlap, the combining atomic orbitals should have proper orientation.

(c) The extent of overlap should be large.

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