These Molecular Orbitals are as follows:Īccording to Molecular Orbital Theory, the molecular orbital which is formed by the addition of overlapping of atomic orbital is called Bonding Molecular Orbital.

For proper energy, two atomic orbitals should have the same energy and for proper orientation, the atomic orbitals should have proper overlap with the same molecular axis of symmetry.Īccording to Molecular Orbital Theory, there are three types of Molecular Orbitals.For the formation of a proper molecular orbital, proper orientation and energy are required.The greater the extent of overlap of orbitals, the greater will be the nuclear density between the nuclei of the two atoms.The two atomic orbitals will combine to form a molecular orbital only if the overlap is proper.Proper Overlapping between Atomic Orbitals It cannot combine with 2px and 2py orbital because they have a different axis of symmetry.all the sub-orbitals of 2p have the same energy but still, the 2pz orbital of an atom can only combine with a 2pz orbital of another atom. The combining atoms should have the same symmetry around the molecular axis for proper combination.This means that the 2p orbital of an atom can combine with another 2p orbital of another atom but 1s and 2p cannot combine as they have energy differences.The combining atomic orbitals must have the same or approximately the same energy.The three main conditions for linear combination of atomic orbitals (LCAO) to be suitable as approximate molecular orbitals are as given below: Same Energy of Combining Orbitals

Linear Combination of Atomic Orbitals Conditions for Linear Combination of Atomic Orbitals 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:

Molecular orbital diagram of o2