MO theory heteronuclear diatomic molecules

Use electronegativity values in Table 1.7 to confirm that each of the following molecules is polar. Draw diagrams to show the directions of the molecular dipole moments. 

18) depict symmetrical orbitals. Now we look at representative examples of diatomics in which the MOs may contain 

we must consider likely restrictions when we are faced with the possibility of combining different types of atomic orbitals. 

In this section, we return to MO theory and apply it to heteronuclear diatomic molecules. In each of the orbital interaction diagrams constructed in Section 2.3 for homonuclear diatomics, the resultant MOs contained equal contributions from each atomic orbital involved. This is represented in eq. 2.5 for the bonding MO in H2 by the fact that each of the wavefunctions and 1/12 contributes equally to and the representations of the MOs in H2 (Fig. 2.5) depict symmetrical orbitals. Now we look at representative examples of diatomics in which the MOs may contain different atomic orbital contributions, a scenario that is typical for heteronuclear diatomics. 

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MO theory heteronuclear diatomic molecules Isoelectronic molecules Molecular shape and the VSEPR model Geometrical isomerism... 

The treatment of heteronuclear diatomic molecules by LCAO-MO theory is not fundamentally different from the treatment of homonuclear diatomics, except that the MO s are not symmetric with respect to a plane perpendicular to and bisecting the intemuclear axis. The MO s are still constructed by forming linear combinations of atomic orbitals on the two atoms, but since the atoms are now different we must write them < a+ 0b> where A is not in general equal to 1. Thus these MO s will not in general represent non-polar bonding. As examples let us consider HC1, CO, and NO. 

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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