Explain this observation using molecular orbitals – [Free] B102

explain this observation using molecular orbitals

MO Theory Explanation of O₂ Paramagnetism

Question:

Explain the observation that oxygen (O₂) is paramagnetic using Molecular Orbital Theory.

Answer:

🔍 The Observation

Experimental evidence shows that oxygen (O₂) is paramagnetic, meaning it is attracted to a magnetic field. This is unexpected when looking only at the Lewis structure of O₂, which shows all electrons paired in a double bond.

📘 Molecular Orbital Theory Basics

In Molecular Orbital (MO) Theory, atomic orbitals combine to form molecular orbitals that are classified as:

  • Bonding orbitals: lower energy, stabilize the molecule
  • Antibonding orbitals: higher energy, destabilize the molecule

Electron filling follows the Aufbau principle, Pauli exclusion principle, and Hund’s rule.

🧪 Constructing the MO Diagram for O₂

Each oxygen atom has 8 electrons, so O₂ has a total of 16 electrons.

Filling order of molecular orbitals:

σ(2s) → σ*(2s) → σ(2pz) → π(2px) = π(2py) → π*(2px) = π*(2py) → σ*(2pz)
  • Bonding orbitals: 8 electrons
  • Antibonding orbitals: 4 electrons

⚡ Explaining Paramagnetism

The π*(2px) and π*(2py) orbitals each contain one unpaired electron. According to Hund’s Rule, these orbitals are singly occupied to minimize electron repulsion.

Unpaired electrons result in a magnetic moment, which explains the paramagnetic behavior of O₂.

🔢 Bond Order Calculation

Bond order = ½ (Number of bonding electrons − Number of antibonding electrons)

Bond order = ½ (8 − 4) = 2

This confirms a double bond in O₂, consistent with experimental observations.

✅ Conclusion

Molecular Orbital Theory successfully explains the paramagnetism of O₂ by revealing the presence of two unpaired electrons in its MO diagram. These electrons are not shown in traditional Lewis structures. Additionally, MO Theory validates the bond order of 2, confirming a double bond between the oxygen atoms.

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