Choose the correct order of energy of 2σg and 1πu molecular orbitals for B2, C2 and O2:

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CSIR-UGC (NET) Chemical Science: Held on (26 Nov 2020)
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  1. g > 1πu for all the three
  2. g > 1πu for B2 and C2 only
  3. g > 2σu for C2 and O2 only
  4. g > 1πu for B2 and O2 only

Answer (Detailed Solution Below)

Option 2 : 2σg > 1πu for B2 and C2 only
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Detailed Solution

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Concept:

Molecular Orbital Theory:

  • The molecular orbital theory predicts that each atom tends to combine with each other and results in the molecular orbital. As a result, electrons are found in various atomic orbitals and they are usually associated with different nuclei.

Explanation:

  • According to molecular orbital theory, the energy of molecular orbital increases in the order 

g < 1σ*< 1πu < 2σg < 1π*g < 2σ*u (neglecting 1s orbital) for the elements having the number of electrons less than or equal to 14.

  • For the element B2 and C2, the total number of electrons are 10 and 12 as each B and C atom contributes 5 and 6 electrons respectively. So, the correct order of energy of 2σg and 1πu molecular orbitals for Band C2 are 

2σg > 1πu

  • For an O2 molecule, the total number of electrons is 16, as each O atom contributes 8 electrons. The energy of molecular orbital for O2 molecule increases in the order 

g < 1σ*< 2σg < 1πu < 1π*g < 2σ*u .

  • Hence, for the O2 molecule, the order of energy of 2σg and 1πu  is 

g < 1πu.

Conclusion:

  • The correct order of energy of 2σg and 1πu molecular orbitals for B2, C2, and O2

2σg > 1πu for B2 and C2 only.

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