The concept of mixing
A method for describing the electronic structure of molecules using quantum mechanics.
to form new hybrid orb
Considers electrons delocalized throughout the entire molecule
observed shapes of mo
Predicts the arrangement of electrons in molecules
Hybridization involves
Molecular orbital (Ψ2): the region of space in which a valence electron in a molecule is likely to be found
electrons, and single u
A molecular orbital is full when it contains two electrons with opposite spin
Hybrid orbitals do not
MOs are formed by combining atomic orbitals, done through the linear combination of atomic orbitals
formed only in covalen
(LCAO) method.
A set of hybrid orbitals
Depending on whether the atomic orbitals combine constructively or destructively, the resulting MOs are
atomic orbitals.
either bonding or antibonding.
The number of hybrid o
Bonding Orbitals: When AOs combine constructively (in-phase overlap), the electron density between the
the number of atomic o
nuclei increases, stabilizing the molecule.
to produce the set.
- Electrons in bonding MOs lower the overall energy of the molecule.
All orbitals in a set of h
Antibonding Orbitals: When AOs combine destructively (out-of-phase overlap), the electron density
equivalent in shape an
between the nuclei decreases, creating a node (region of zero electron density).
The type of hybrid orbi
- Electrons in antibonding MOs increase the energy of the molecule, destabilizing it.
atom depends on its el
Bond Order: a quantitative measure of the strength of a bond.
predicted by the VSEP
Bond Order = (Number of electrons in bonding MOs - Number of electrons in antibonding MOs) ÷ 2
Hybrid orbitals overlap
- A higher bond order means a stronger, more stable bond.
Unhybridized orbitals o
- Bond order of 0 suggests that the molecule is unstable and likely doesn't exist under normal conditions.
MO theory uses energy-level diagrams (MO diagrams) to visualize the relative energies of the MOs.
For homonuclear diatomic molecules (like H₂, N₂, or O₂), MOs are formed from the atomic orbitals of the
same element.
Paramagnetic: Molecules with unpaired electrons are attracted to a magnetic field.
Diamagnetic: Molecules with all electrons paired are weakly repelled by a magnetic field. ADVANCED THEORIES OF COV
Molecular orbital theory
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