A brief introduction to molecular orbital theory of simple polyatomic molecules for undergraduate chemistry students

摘要

A simple, four-step method for better introducing undergraduate students to the fundamentals of molecular orbital (MO) theory of the polyatomic molecules H_2O, NH_3, BH_3 and SiH_4 using group theory is reported. These molecules serve to illustrate the concept of ligand group orbitals (LGOs) and subsequent construction of MO energy diagrams on the basis of molecular symmetry requirements.