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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The phase (or sign) of an orbital is a direct consequence of the wave-like properties of electrons. In graphical representations of orbitals, orbital phase is depicted either by a plus or minus sign (which has no relationship to electric charge) or by shading one lobe. The sign of the phase itself does not have physical meaning except when ...

  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. Three-center four-electron bond - Wikipedia

    en.wikipedia.org/wiki/Three-center_four-electron...

    Figure 1: Diagram illustrating σ molecular orbitals of the triiodide anion. The σ molecular orbitals (MOs) of triiodide can be constructed by considering the in-phase and out-of-phase combinations of the central atom's p orbital (collinear with the bond axis) with the p orbitals of the peripheral atoms. [12]

  5. 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 ...

  6. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    Electron atomic and molecular orbitals A Bohr diagram of lithium. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1]

  7. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on a specific atom. They can be used to relate molecular orbital calculations to simple bonding theories, and also to speed up post-Hartree–Fock electronic structure calculations by taking ...

  8. Phi bond - Wikipedia

    en.wikipedia.org/wiki/Phi_bond

    The Greek letter φ in their name refers to f orbitals, since the orbital symmetry of the φ bond is the same as that of the usual (6-lobed) type of f orbital when seen down the bond axis. There was one possible candidate known in 2005 of a molecule with phi bonding (a U−U bond, in the molecule U 2 ). [ 1 ]

  9. Singlet oxygen - Wikipedia

    en.wikipedia.org/wiki/Singlet_oxygen

    Molecular orbital diagram of two singlet excited states as well as the triplet ground state of molecular dioxygen. From left to right, the diagrams are for: 1 Δ g singlet oxygen (first excited state), 1 Σ + g singlet oxygen (second excited state), and 3 Σ − g triplet oxygen (ground state). The lowest energy 1s molecular orbitals are ...

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