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  Molecular Orbital Theory

Molecular Orbital Theory:

Molecular orbital theory was place forward by Hund and Mullikan in the year 1932. This theory is modern and much rational. This theory supposes that in molecules, atomic orbitals lose their individuality and the electrons in molecules are present in new orbitals termed as molecular orbitals. A short outline of this theory is specified below:

1) In a molecule, electrons are existed in new orbitals termed as molecular orbitals.

2) Molecular orbitals are produced by combination of atomic orbitals of equivalent energies (i.e., in situation of homo-nuclear molecules) or of comparable energies (i.e., in case of hetero-nuclear molecules).

3) The number of molecular orbitals created is equivalent to the number of atomic orbitals undergoing combination.

4) Two atomic orbitals can join to form two molecular orbitals. Out of such two molecular orbitals, one has a lower energy and another has higher energy. The molecular orbital with lower energy is termed as bonding molecular orbital and the other with higher energy is termed as anti bonding molecular orbital.

5) The shapes of molecular orbitals depend on the shapes of joining atomic orbitals.

6) The bonding molecular orbitals are symbolized by δ (delta), σ (sigma), π (pi), and the anti-bonding molecular orbitals are symbolized by σ∗, π∗, δ*.

7) The molecular orbitals are filled in the rising order of their energies, beginning with orbital of least energy. (i.e., Aufbau principle).

8) A molecular orbital can contain only two electrons and these two electrons should have opposite spins. (i.e., Paul’s exclusion principle).

9) While filling molecular orbitals of equivalent energy, pairing of electrons does not occur until all such molecular orbitals are separately filled with electrons containing parallel spins.  (i.e., Hund’s rule).

 

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