Molecular orbital theory: polyatomic molecules

This chapter covers the concept of polyatomic molecules while considering molecular orbital theory. Polyatomic molecular orbitals spread over the entire molecule and the electrons that occupy them spread like a web over the atoms to bind them all together. Moreover, symmetry considerations play a central role in the construction of the molecular orbitals of polyatomic molecules, because only atomic orbitals of matching symmetry have non-zero overlap and contribute to a molecular orbital. The chapter introduces the Hückel approximation in relation to the construction of π molecular orbital energy level diagrams of conjugated molecules. It also considers the power and speed of computational chemistry.