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What are non-bonding molecular orbitals?

Here’s a explanation of non-bonding molecular orbitals (NBMOs):


1. Definition

  • Non-bonding molecular orbitals are molecular orbitals that contain electrons but do not contribute to bonding or antibonding between atoms.
  • Electrons in these orbitals stay mostly on one atom rather than being shared between atoms.

2. Characteristics

  • Energy is similar to the atomic orbital from which it originated.
  • Electrons in non-bonding orbitals do not stabilize or destabilize the molecule significantly.
  • Denoted as n in molecular orbital diagrams.

3. Examples

  1. Water (H₂O):
    • Oxygen has lone pair electrons that occupy non-bonding orbitals.
  2. Ammonia (NH₃):
    • Nitrogen’s lone pair occupies a non-bonding orbital.

4. Importance

  • Non-bonding electrons influence:
    • Molecular shape (via VSEPR theory)
    • Polarity of molecules
    • Chemical reactivity (e.g., lone pairs can act as nucleophiles)
    • Spectroscopic properties (e.g., n → π* transitions in UV-Vis spectroscopy)

In short:

  • Bonding MOs → stabilize molecule
  • Antibonding MOs → destabilize molecule
  • Non-bonding MOs → neutral, just hold lone pair electrons

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