Molecular Orbital Theory
The goal of molecular orbital theory is
to describe molecules in a similar way
to how we describe atoms, that is, in
terms of orbitals, orbital diagrams,
and electron configurations.
Forming a Covalent Bond
Molecules can form bonds by sharing
electron
Two shared electrons form a single bond
Atoms can share one, two or three pairs of
electrons
forming single, double and triple bonds
Other types of bonds are formed by
charged atoms (ionic) and metal atoms
(metallic).
Atomic and Molecular
Orbitals
In atoms, electrons occupy atomic orbitals, but in
molecules they occupy similar molecular orbitals
which surround the molecule.
The two 1s atomic orbitals combine to form two
molecular orbitals, one bonding () and one antibonding
(*).
• This is an
illustration of
molecular orbital
diagram of Hone
• Notice that 2.
electron from each
atom is being
“shared” to form a
covalent bond. This is
an example of orbital
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mixing.
Molecular Orbital Theory
Each line in the diagram represents
an orbital.
The molecular orbital volume
encompasses the whole molecule.
The electrons fill the molecular
orbitals of molecules like electrons
fill atomic orbitals in atoms
Molecular Orbital Theory
Electrons go into the lowest energy
orbital available to form lowest
potential energy for the molecule.
The maximum number of electrons
in each molecular orbital is two.
(Pauli exclusion principle)
One electron goes into orbitals of
equal energy, with parallel spin,
before they begin to pair up. (Hund's
Rule.)
Molecular Orbital
Diagram (H2)
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MO Diagram for O2
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Conclusions
Bonding electrons are localized
between atoms (or are lone pairs).
Atomic orbitals overlap to form bonds.
Two electrons of opposite spin can
occupy the overlapping orbitals.
Bonding increases the probability of
finding electrons in between atoms.
It is also possible for atoms to form
ionic and metallic bonds.
References
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Molecular_orbital_theory
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