It is a superimposition method where constructive interference of 2 atomic wave functions results in the production of a bonding molecular orbital whereas destructive interference produces a non-bonding molecular orbital.It is an approximate method that is used to represent molecular orbitals.The Schrodinger equation that is used to describe the behaviour of electrons for the molecular orbitals can be written in a method as the atomic orbitals.These LCAOs are useful to estimate the formation of these orbitals in the bonding between the atoms that form a molecule. Molecular orbital theory is expressed through a Linear Combination of Atomic Orbitals (LCAO). Linear Combination of Atomic Orbitals (LCAO) Electrons are located anywhere within the molecule. The most effective combinations of atomic orbitals occur when the combining orbitals have the same energies.Each atom combines to form a molecular orbital and electrons are found in atomic orbitals bonded to different nuclei.However, molecular orbitals always have lower energy than parent orbitals.Out of these, antibonding molecular orbitals always have high energy than the parent orbitals.Molecular Orbital Theory describes three types of orbital based on the pattern of electron bonding.Orbital with lower energy followed by higher orbital energy is the pattern of electron alignment.The electrons in the molecular orbital are filled in the increasing order of orbital energy (from orbital having lower energy to orbital having higher energy).The total number of molecular orbitals formed is equal to the total number of atomic orbitals offered by atomic species.The postulates of Molecular Orbital Theory are:
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