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Question
Hydrogen gas is diatomic whereas inert gases are monoatomic – Explain on the basis of MO theory.
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Solution
The molecular orbital electronic configuration of the hydrogen molecule is (σ1s2). The molecular orbital energy level diagram of the H2 molecule is given in

Here, N2 = 2, Na = 0
Bond order = `("N"_"b" - "N"_"a")/2`
`= (2 - 0)/2` = 1
He2: σ1s2 σ1s*2
The molecular orbital energy level diagram of He2 (hypothetical) is given in

Here, Nb = 2 and Na = 2
Bond order = `("N"_"b" - "N"_"a")/2`
`(2 - 2)/2` = 0
As the bond order for He2 comes out to form between two hydrogen atoms. But as the bond order of helium is zero, there is no bond between helium atoms and hence it is monoatomic.
Result:
As the bond order of the H2 molecule is one, it is diatomic and a single bond is formed between two hydrogen atoms. But as the bond order of helium is zero, there is no bond between helium atoms and hence it is monoatomic.
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