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  2. Antibonding molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Antibonding_molecular_orbital

    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.

  3. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    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 ...

  4. Molecular electronic transition - Wikipedia

    en.wikipedia.org/wiki/Molecular_electronic...

    The energy change associated with this transition provides information on the structure of the molecule and determines many of its properties, such as colour. The relationship between the energy involved in the electronic transition and the frequency of radiation is given by Planck's relation .

  5. Bond order - Wikipedia

    en.wikipedia.org/wiki/Bond_order

    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.

  6. Non-bonding orbital - Wikipedia

    en.wikipedia.org/wiki/Non-bonding_orbital

    The energy level of a non-bonding orbital is typically in between the lower energy of a valence shell bonding orbital and the higher energy of a corresponding antibonding orbital. As such, a non-bonding orbital with electrons would commonly be a HOMO ( highest occupied molecular orbital ).

  7. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    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.

  8. Ligand field theory - Wikipedia

    en.wikipedia.org/wiki/Ligand_field_theory

    It occurs when the LUMOs (lowest unoccupied molecular orbitals) of the ligand are anti-bonding π * orbitals. These orbitals are close in energy to the d xy, d xz and d yz orbitals, with which they combine to form bonding orbitals (i.e. orbitals of lower energy than the aforementioned set of d-orbitals).

  9. Bonding molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Bonding_molecular_orbital

    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 ...

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