Final answer:
The Molecular Orbital theory shows that the expansion coefficients in the molecular orbitals of CO indicate a higher contribution of the oxygen atom due to its electronegativity, compared to those in N2. The correct option is D.
Step-by-step explanation:
The Molecular Orbital (MO) theory provides insight into the behavior of electrons within molecules and the nature of chemical bonds. Specifically, regarding the expansion coefficients in the molecular orbitals of CO and N2, MO theory reveals that these coefficients indicate the contribution of atomic orbitals from each atom to a molecular orbital.
For example, the more electronegative oxygen in CO contributes more to the π molecular orbitals, which means the expansion coefficients are larger for oxygen in these orbitals. This contributes to the polar nature of CO, as the electrons in these π orbitals are more attracted to oxygen than to carbon.