What does molecular orbital theory describe?

Molecular orbital theory describes the behavior of electrons in molecules by presenting a model that explains how atomic orbitals combine to form molecular orbitals, which are regions in a molecule where electrons are likely to be found. This theory illustrates that when atoms bond, their atomic orbitals (like s and p orbitals) merge to create molecular orbitals that can accommodate electrons, leading to the formation of stable or unstable molecules depending on the energy states of these orbitals.

In essence, molecular orbital theory focuses on the distribution of electrons in a molecule rather than just in isolated atoms. It allows chemists to predict the electronic structure of molecules, leading to insights about their stability, bonding characteristics, magnetism, and reactivity. The prediction of molecular properties stems from understanding how electrons occupy these molecular orbitals, which is central to the theory and distinguishes it from considerations of isolated atoms or compound mixtures.