Gaurav
Last Activity: 10 Years ago
Molecular Orbital Theory
One of the most important theories developed is the wave-particle, duality of particles. Electrons can be considered as particles and waves also. Based on this, it can be concluded that electrons behaving as waves can interact with each other and the process is called interference.
As in waves, two types of interferences are possible: (1) constructive and (2) Destructive.
In molecules the atomic orbitals of all the atoms are assumed to interfere with each other in the form of waves and depending on the nature of interferences, two molecular orbitals result. The one which results from constructive interference is called bonding molecular orbital and the one which results from destructive interference is called anti-bonding molecular orbital. Obviously anti-bonding MO is of higher energy than Bonding MO.
In Molecular Orbital Theory (MOT) the atoms in a molecule are supposed to loose their individual control over the electrons. The nuclei of the bonded atoms are considered to be present at equilibrium inter-nuclear positions. The orbitals where the probability of finding the electrons is maximum are multicentred orbitals called molecular orbitals extending over two or more nuclei.
In MOT the atomic orbitals loose their identity and the total number of electrons present are placed in Mo’s according to increasing energy sequence (Auf Bau Principle) with due reference to Pauli’s Exclusion Principle and Hund’s Rule of Maximum Multiplicity.
As mentioned above, when a pair of atomic orbitals combine they give rise to a pair of molecular orbitals, the bonding and the anti-bonding. The number of molecular orbitals produced must always be equal to the number of atomic orbitals involved. Electron density is increased for the bonding MO’s in the inter-nuclear region but decreased for the anti-bonding MO’s, Shielding of the nuclei by increased electron density in bonding MO’s reduces inter nuclei repulsion and thus stabilizes the molecule whereas lower electron density even as compared to the individual atom in anti-bonding MO’s increases the repulsion and destabilizes the system.