Bonding and Antibonding Molecular Orbitals


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 Bonding MO  Antibonding MO
 Bonding molecular orbital is formed by the addition of overlapping of atomic orbitals. The wave function of the bonding MO may be written as: Ψ(MO) = ΨA + ΨB  Antibonding molecular orbital is formed by the subtraction of overlapping of atomic orbitals. The wave function for the antibonding MO may be written as: Ψ (MO) = ΨA - ΨB
 They are formed when the lobes of the combining atomic orbitals have same sign  They are formed when the lobes of the combining atomic orbitals have opposite sign
 It has greater electron density in the region between the two nuclei of bonded atoms  It has lesser electron density in the region between the two nuclei of the atoms
 The forces in this orbital tend to bring the two nuclei of the atoms together. Therefore, electrons in the bonding MO contribute to attraction between the two atoms  The forces in this orbital push the nuclei apart. Therefore, the electrons in anti bonding MO contribute to repulsion between the atoms
 It possesses lower energy than the isolated atomic orbitals  It possesses higher energy than the isolated atomic orbitals

 



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