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  2. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    To see the elongated shape of ψ (x, y, z)2 functions that show probability density more directly, see pictures of d-orbitals below. In quantum mechanics, an atomic orbital (/ ˈɔːrbɪtəl /) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution ...

  3. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The oxygen atomic orbitals are labeled according to their symmetry as a 1 for the 2s orbital and b 1 (2p x), b 2 (2p y) and a 1 (2p z) for the three 2p orbitals. The two hydrogen 1s orbitals are premixed to form a 1 (σ) and b 2 (σ*) MO. Mixing takes place between same-symmetry orbitals of comparable energy resulting a new set of MO's for water:

  4. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    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 ...

  5. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    e. In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. The MOT explains the paramagnetic nature of O 2, which valence bond theory cannot explain. In molecular orbital theory, electrons in a molecule are not ...

  6. Electron transfer - Wikipedia

    en.wikipedia.org/wiki/Electron_transfer

    In such cases, the electron transfer is termed intermolecular electron transfer. A famous example of an inner sphere ET process that proceeds via a transitory bridged intermediate is the reduction of [CoCl(NH 3) 5] 2+ by [Cr(H 2 O) 6] 2+. [5] [6] In this case, the chloride ligand is the bridging ligand that covalently connects the redox ...

  7. Energy level - Wikipedia

    en.wikipedia.org/wiki/Energy_level

    The energy level of the bonding orbitals is lower, and the energy level of the antibonding orbitals is higher. For the bond in the molecule to be stable, the covalent bonding electrons occupy the lower energy bonding orbital, which may be signified by such symbols as σ or π depending on the situation.

  8. Orbital hybridisation - Wikipedia

    en.wikipedia.org/wiki/Orbital_hybridisation

    Checked. In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory. For example, in a carbon atom which forms four ...

  9. Excited state - Wikipedia

    en.wikipedia.org/wiki/Excited_state

    Atoms can be excited by heat, electricity, or light. The hydrogen atom provides a simple example of this concept.. The ground state of the hydrogen atom has the atom's single electron in the lowest possible orbital (that is, the spherically symmetric "1s" wave function, which, so far, has been demonstrated to have the lowest possible quantum numbers).