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How does MOT explain the stability of diatomic molecules?

Here’s a explanation of how Molecular Orbital Theory (MOT) explains the stability of diatomic molecules:


1. MOT Idea of Bonding

  • In MOT, atomic orbitals combine to form molecular orbitals.
  • There are bonding orbitals (help hold atoms together) and antibonding orbitals (try to push atoms apart).
  • Stability comes from having more electrons in bonding orbitals than in antibonding orbitals.

2. Bond Order Determines Stability

  • MOT uses bond order to explain stability:
    • Positive bond order → more bonding electrons → molecule is stable.
    • Zero bond order → bonding and antibonding electrons cancel → molecule is unstable and may not exist.

3. Electron Arrangement Matters

  • The way electrons fill molecular orbitals affects stability:
    • H₂, N₂, O₂ → have more electrons in bonding orbitals → they exist and are stable.
    • He₂ → bonding and antibonding electrons are equal → bond order zero → molecule is unstable.

4. Energy Perspective

  • Electrons in bonding orbitals lower the energy of the molecule.
  • Electrons in antibonding orbitals raise the energy.
  • A molecule is stable if the total energy is lower than the separate atoms.

In short:
MOT explains stability by counting electrons in bonding vs antibonding orbitals. More bonding electrons → more stability; more antibonding electrons → less stability.

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