Heteronuclear diatomic molecule molecular orbital diagram

FIGURE 3.33 A typical d molecular orbital energy-level diagram for a heteronuclear diatomic molecule AB the relative contributions of the atomic orbitals to the molecular orbitals are represented by the relative sizes of the spheres and the horizontal position of the boxes. In this case, A is the more electronegative of the two elements. 

The molecular orbital energy-level diagrams of heteronuclear diatomic molecules are much harder to predict qualitatitvely and we have to calculate each one explicitly because the atomic orbitals contribute differently to each one. Figure 3.35 shows the calculated scheme typically found for CO and NO. We can use this diagram to state the electron configuration by using the same procedure as for homonuclear diatomic molecules. 

The following is a molecular orbital energy level diagram for a heteronuclear diatomic molecule, XY, in which both X and Y are from Period 2 and Y is slightly more electronegative. This diagram may be used in answering questions in this section. 

FIGURE 12.24 Molecular orbitals of the heteronuclear diatomic molecules NO and HF. The energy axis is not to scale, and only the valence shell electrons are shown. Compare these diagrams with those in Figure 12.23. 

We can also apply molecular orbital theory to heteronuclear diatomic molecules (two different atoms). For example, we can draw an MO diagram for NO as follows ... 

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