Molecular Orbital Theory
| Formula / Notation | Ψ_MO = c₁φ₁ + c₂φ₂ (LCAO) |
|---|---|
| Also Known As | MO theory, LCAO-MO, molecular orbital model, quantum chemical bonding theory |
What is Molecular Orbital Theory?
A theory describing chemical bonding in which atomic orbitals combine to form molecular orbitals that extend over the entire molecule. Bonding MOs lower energy; antibonding MOs raise energy. MO theory explains paramagnetism of O₂ and properties of conjugated systems.
Formula & Notation
Other Names / Synonyms: MO theory, LCAO-MO, molecular orbital model, quantum chemical bonding theory
Properties & Characteristics
Uses & Applications
Safety Information
Always consult the SDS/MSDS before handling any chemical. This information is for educational purposes only.
Key Facts
Frequently Asked Questions
A theory describing chemical bonding in which atomic orbitals combine to form molecular orbitals that extend over the entire molecule. Bonding MOs lower energy; antibonding MOs raise energy. MO theory explains paramagnetism of O₂ and properties of conjugated systems.
MO theory is essential for understanding: paramagnetism of O₂ (2 unpaired electrons in degenerate π* MOs), bonding in aromatic systems (Hückel theory), optical properties (HOMO-LUMO gap determines light absorption), metallic conductivity (band theory as MO theory in solids), and the reactivity of or…
No direct safety concern. MO theory predicts the wavelength of UV-Vis absorption and thus whether molecules will absorb biologically damaging UV light (sunscreens, photocarcinogens). HOMO-LUMO calculations in computational chemistry aid prediction of reactivity and toxicological properties.
The formula or notation for Molecular Orbital Theory is: Ψ_MO = c₁φ₁ + c₂φ₂ (LCAO)