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

Abstract

Recebido em 18/7/11; aceito em 14/2/12; publicado na web em 15/6/12 A simple, four-step method for better introducing undergraduate students to the fundamentals of molecular orbital (MO) theory of the polyatomic molecules H 2 O, 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.