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H 2 1sσ* antibonding molecular orbital. In theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei.
Antibonding interactions between atomic orbitals are destructive (out-of-phase) interactions, with a nodal plane where the wavefunction of the antibonding orbital is zero between the two interacting atoms; Antibonding MOs are higher in energy than the atomic orbitals that combine to produce them. Nonbonding MOs: Nonbonding MOs are the result of ...
For instance, in the simple case of a hydrogen diatomic molecule, promotion of a single electron from a bonding orbital to an antibonding orbital can occur under UV radiation. This promotion weakens the bond between the two hydrogen atoms and can lead to photodissociation, the breaking of a chemical bond due to the absorption of light.
A non-bonding orbital, also known as non-bonding molecular orbital (NBMO), is a molecular orbital whose occupation by electrons neither increases nor decreases the bond order between the involved atoms. Non-bonding orbitals are often designated by the letter n in molecular orbital diagrams and electron transition notations.
In chemistry, bond order is a formal measure of the multiplicity of a covalent bond between two atoms. As introduced by Gerhard Herzberg, [1] building off of work by R. S. Mulliken and Friedrich Hund, bond order is defined as the difference between the numbers of electron pairs in bonding and antibonding molecular orbitals.
The photoelectron spectrum of dihydrogen shows a single set of multiplets between 16 and 18 eV (electron volts). [14] The dihydrogen MO diagram helps explain how a bond breaks. When applying energy to dihydrogen, a molecular electronic transition takes place when one electron in the bonding MO is promoted to the antibonding MO. The result is ...
These orbitals and typically given the notation σ (sigma bonding), π (pi bonding), n (occupied nonbonding orbital, "lone pair"), p (unoccupied nonbonding orbital, "empty p orbital"; the symbol n* for unoccupied nonbonding orbital is seldom used), π* (pi antibonding), and σ* (sigma antibonding). (Woodward and Hoffmann use ω for nonbonding ...
The MO diagram for dihydrogen. In the classic example of the H 2 MO, the two separate H atoms have identical atomic orbitals. When creating the molecule dihydrogen, the individual valence orbitals, 1s, either: merge in phase to get bonding orbitals, where the electron density is in between the nuclei of the atoms; or, merge out of phase to get antibonding orbitals, where the electron density ...