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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    Nitric oxide is a heteronuclear molecule that exhibits mixing. The construction of its MO diagram is the same as for the homonuclear molecules. 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.

  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. 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.

  5. 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 ...

  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. 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. 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.

  9. Stereoelectronic effect - Wikipedia

    en.wikipedia.org/wiki/Stereoelectronic_effect

    A stereoelectronic effect generally involves a stabilizing donor-acceptor (i.e., filled bonding-empty antibonding, 2-electron 2-orbital) interaction. The donor is usually a higher bonding or nonbonding orbital and the acceptor is often a low-lying antibonding orbital as shown in the scheme below.

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