Define Molecular Orbital Theory.
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Answer:
Molecular orbital theory predicts the placement of electrons in a molecule. Two or more atoms combine together to form molecular orbitals. These combination or interaction of atomic orbitals can be bonding or anti bonding. A bonding orbital is formed by the interaction of two atomic orbitals from the same phase whereas anti bonding orbital is formed through the different phases. An anti-bonding orbital has a higher energy compared to that of a bonding orbital. Electrons enter into the lower energy bonding orbitals first then into the higher energy orbitals.
Number of atomic orbitals and number of molecular orbitals are same. Half of the number of molecular orbitals are bonding and remaining half are the anti-bonding orbitals. A non-bonding orbital is generated when atomic orbitals do not interact with each other.
If same atoms combine together then it is called homo-nuclear diatomic molecular orbital. Examples are H2, N2, O2, F2, B2, and C2
Two different atoms combine together to form hetero-nuclear diatomic molecular orbitals. Examples are CO, HF, LiF, and NO.
Two s atomic orbitals together form σ bonding orbital and σ* anti-bonding orbital. And s and one p atomic orbital can form a bonding σ orbital and anti-bonding σ* orbital. Two p orbitals interact to form one bonding π orbital and one anti-bonding π* orbital. Bonding orbitals do not contain node but anti-bonding orbitals contain nodes.
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Information on Molecular orbital theory :
1. It regards the nuclei of the molecules as polycentric and constructs the molecular orbitals.
2.The Atomic orbitals lose their individual identity while combining.
3. It takes into account only the increase or the decrease in the electron density at over lapping.
4.The number of bonds is half the difference in the bonding and anti-bonding electrons.
5. It helps in predicting the paramagnetic or diamagnetic character of the molecules.
6. In this theory resonance is not at all considered.