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  2. Orbital hybridisation - Wikipedia

    en.wikipedia.org/wiki/Orbital_hybridisation

    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.

  3. Isovalent hybridization - Wikipedia

    en.wikipedia.org/wiki/Isovalent_hybridization

    In chemistry, isovalent or second order hybridization is an extension of orbital hybridization, the mixing of atomic orbitals into hybrid orbitals which can form chemical bonds, to include fractional numbers of atomic orbitals of each type (s, p, d). It allows for a quantitative depiction of bond formation when the molecular geometry deviates ...

  4. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    The p z orbital is the same as the p 0 orbital, but the p x and p y are formed by taking linear combinations of the p +1 and p −1 orbitals (which is why they are listed under the m = ±1 label). Also, the p +1 and p −1 are not the same shape as the p 0 , since they are pure spherical harmonics .

  5. 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 ...

  6. Orbital overlap - Wikipedia

    en.wikipedia.org/wiki/Orbital_overlap

    Linus Pauling explained the importance of orbital overlap in the molecular bond angles observed through experimentation; it is the basis for orbital hybridization. As s orbitals are spherical (and have no directionality) and p orbitals are oriented 90° to each other, a theory was needed to explain why molecules such as methane (CH 4) had ...

  7. Electronic band structure - Wikipedia

    en.wikipedia.org/wiki/Electronic_band_structure

    When the atoms are far apart (right side of graph) the eigenstates are the atomic orbitals of carbon. When the atoms come close enough (left side) that the orbitals begin to overlap, they hybridize into molecular orbitals with different energies. Since there are many atoms, the orbitals are very close in energy, and form continuous bands.

  8. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    As with H 2, the lowest energy atomic orbitals are the 1s' and 1s", and do not transform according to the symmetries of the molecule, while the symmetry adapted atomic orbitals do. The symmetric combination—the bonding orbital—is lower in energy than the basis orbitals, and the antisymmetric combination—the antibonding orbital—is higher.

  9. Hybridisation - Wikipedia

    en.wikipedia.org/wiki/Hybridisation

    Hybridization (or hybridisation) may refer to: Hybridization (biology) , the process of combining different varieties of organisms to create a hybrid Orbital hybridization , in chemistry, the mixing of atomic orbitals into new hybrid orbitals