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  2. 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 ...

  3. Antibonding molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Antibonding_molecular_orbital

    In a molecule such as H 2, the two electrons normally occupy the lower-energy bonding orbital, so that the molecule is more stable than the separate H atoms. He 2 electron configuration. The four electrons occupy one bonding orbital at lower energy, and one antibonding orbital at higher energy than the atomic orbitals.

  4. Non-bonding orbital - Wikipedia

    en.wikipedia.org/wiki/Non-bonding_orbital

    An example of a non-similar one is the non-bonding orbital of the allyl anion, whose electron density is concentrated on the first and third carbon atoms. [ 1 ] In fully delocalized canonical molecular orbital theory, it is often the case that none of the molecular orbitals of a molecule are strictly non-bonding in nature.

  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. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    It has a bond order of 2.5 and is a paramagnetic molecule. The energy differences of the 2s orbitals are different enough that each produces its own non-bonding σ orbitals. Notice this is a good example of making the ionized NO + stabilize the bond and generate a triple bond, also changing the magnetic property to diamagnetic. [12]

  7. 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 ...

  8. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    The difference in energy between the ionized and ground state gives the two ionization energies. As in benzene, in substances such as beta carotene , chlorophyll , or heme , some electrons in the π orbitals are spread out in molecular orbitals over long distances in a molecule, resulting in light absorption in lower energies (the visible ...

  9. Lone pair - Wikipedia

    en.wikipedia.org/wiki/Lone_pair

    Examples are the transition metals where the non-bonding pairs do not influence molecular geometry and are said to be stereochemically inactive. In molecular orbital theory (fully delocalized canonical orbitals or localized in some form), the concept of a lone pair is less distinct, as the correspondence between an orbital and components of a ...

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