Bonding and Antibonding Molecular Orbitals
The lowest-energy bonding and
antibonding molecular orbitals (MO) for a homonuclear diatomic molecule
are shown, as the internuclear distance 
is varied. These MOs are designated 1
(or 1s
) and 1
(or 1s
), respectively. The red contours designate negative values of the wavefunction. In the separated atom limit (large ), the MOs approach a pair of noninteracting 1s atomic orbitals. In the united atom limit (
), the 1 and 1 collapse to 1s and 2
atomic
orbitals, respectively. At the equilibrium internuclear distance, when
the red dot is at the minimum of the energy curve, the bonding orbital
is optimally effective.
Contributed by: S. M. Blinder (October 2007)
Open content licensed under CC BY-NC-SA
Snapshots
Details
The contour curves take a few seconds to smooth out as you change . Only qualitatively representative results are intended.
Snapshot 1: equilibrium internuclear distance
Snapshot 2: separated atoms
Snapshot 3: united atoms
Permanent Citation
https://demonstrations.wolfram.com/BondingAndAntibondingMolecularOrbitals/
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