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  Molecular orbital energy level diagrams

Molecular orbital energy level diagrams of diatomic homo-nuclear molecules and molecular ions:

The filling of molecular orbitals is managed by the principles shown below:

  • Aufbau principle
  • Pauli’s exclusion principle and
  • Hund’s rule of maximum multiplicity.

Now, an illustration of homo-nuclear diatomic molecules:

Hydrogen molecule, H2.

It is produced by the combination of two hydrogen atoms. All hydrogen atoms in the ground state have one electron in 1s orbital. Thus, in all there are two electrons in hydrogen molecule that are present in lower most σ1s molecular orbital. By the Pauli’s exclusion principle, such two electrons must have opposite spins.

The molecular orbital electronic configuration of hydrogen molecule will be (σ1s)2. The molecular orbital energy level diagram of H2 molecule is specified in figure shown below:

1147_h2 molecule.jpg

                                             Figure: The molecular orbital energy level diagram of H2 molecule

The bond order of H2 molecule can be computed as follows:

Here, Nb = 2 and Na = 0

∴ Bond order = (Nb - Na)/ 2= (2-0)/2 = 1.

i) Nature of bond:

It means that the two hydrogen atoms in a hydrogen molecule are bonded with a single covalent bond.

ii) Diamagnetic character:

As no unpaired electron is present in molecule of hydrogen, it is diamagnetic in nature.

 

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