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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    For a diatomic molecule, an MO diagram effectively shows the energetics of the bond between the two atoms, whose AO unbonded energies are shown on the sides. For simple polyatomic molecules with a "central atom" such as methane (CH 4) or carbon dioxide (CO 2), a MO diagram may show one of the identical bonds to the central atom. For other ...

  3. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.

  4. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    MO diagram showing the formation of molecular orbitals of H 2 (centre) from atomic orbitals of two H atoms. The lower-energy MO is bonding with electron density concentrated between the two H nuclei. The higher-energy MO is anti-bonding with electron density concentrated behind each H nucleus.

  5. HOMO and LUMO - Wikipedia

    en.wikipedia.org/wiki/HOMO_and_LUMO

    Diagram of the HOMO and LUMO of a molecule. Each circle represents an electron in an orbital; when light of a high enough frequency is absorbed by an electron in the HOMO, it jumps to the LUMO. 3D model of the highest occupied molecular orbital in CO 2 3D model of the lowest unoccupied molecular orbital in CO 2

  6. Antibonding molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Antibonding_molecular_orbital

    Antibonding orbitals are often labelled with an asterisk (*) on molecular orbital diagrams. In homonuclear diatomic molecules, σ* (sigma star) antibonding orbitals have no nodal planes passing through the two nuclei, like sigma bonds, and π* (pi star) orbitals have one nodal plane passing through the two nuclei, like pi bonds.

  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. Non-bonding orbital - Wikipedia

    en.wikipedia.org/wiki/Non-bonding_orbital

    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.

  9. File:H2O-MO-Diagram.svg - Wikipedia

    en.wikipedia.org/wiki/File:H2O-MO-Diagram.svg

    Added orbital diagrams for molecular orbitals. 16:49, 21 May 2015: 2,020 × 1,070 (138 KB) Officer781: 2pz MO in wrong orientation relative to the other orbitals per the LCAO notation. 16:40, 21 May 2015: 2,020 × 1,070 (138 KB) Officer781: Moved 2s orbital higher in energy as that MO has more hydrogen admixture.