Molecular orbital theory for homonuclear and heteronuclear diatomic molecules
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In heteronuclear diatomic molecules, atomic orbitals only mix when the electronegativity values are similar. While MOs for homonuclear diatomic molecules contain equal contributions from each interacting atomic orbital, MOs for heteronuclear diatomics contain different atomic orbital contributions.
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hey mate here is your answer:
A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular.
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