2.8 Bonding explained with MO theory
We have examined the basic ideas of bonding, showing that atoms share electrons to form molecules with stable Lewis structures and that we can predict the shapes of those molecules by valence shell electron pair repulsion (VSEPR) theory. These ideas provide an important starting point for understanding chemical bonding. But these models sometimes fall short in their abilities to predict the behavior of real substances. How can we reconcile the geometries of s, p, and d atomic orbitals with molecular shapes that show angles like 120° and 109.5°? Furthermore, we know that electrons and magnetic behavior are related through electromagnetic fields. Both N2 and O2 have fairly similar Lewis structures that contain lone pairs of electrons.
Yet oxygen demonstrates very different magnetic behavior than nitrogen. We can pour liquid nitrogen through a magnetic field with no visible interactions, while liquid oxygen (shown in (Figure 1.8.1)) is attracted to the magnet and floats in the magnetic field. We need to understand the additional concepts of valence bond theory, orbital hybridization, and molecular orbital theory to understand these observations.
Based on the MO theory, covalent (single and multiple) bonds can be explained. In addition to providing an explanation for the shape of the resulting molecule and the magnetic properties, MO theory can be used to explain multiple oxidation states for transition metal ions. The d-d transitions and colors exhibited by compounds of the d-block metals can be explained using the MO theory.