Molecular orbital (MO) theory

Definition

Molecular Orbital Theory is a method in chemistry for describing the electronic structure of molecules using quantum mechanics. It explains how atomic orbitals combine to form molecular orbitals, which are then occupied by electrons.

Related terms

Atomic Orbital: A region in space around an atom's nucleus where an electron is likely to be found.

Bonding Molecular Orbital: A lower energy molecular orbital formed from the constructive interference of atomic orbitals, leading to increased electron density between nuclei and thus bond formation.

Antibonding Molecular Orbital: A higher energy molecular orbital resulting from the destructive interference of atomic orbitals, which leads to decreased electron density between nuclei and can weaken or prevent bond formation