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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. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    The localized orbital corresponding to one O-H bond is the sum of these two delocalized orbitals, and the localized orbital for the other O-H bond is their difference; as per Valence bond theory. For multiple bonds and lone pairs, different localization procedures give different orbitals.

  4. Orbital overlap - Wikipedia

    en.wikipedia.org/wiki/Orbital_overlap

    In chemical bonds, an orbital overlap is the concentration of orbitals on adjacent atoms in the same regions of space. Orbital overlap can lead to bond formation. Linus Pauling explained the importance of orbital overlap in the molecular bond angles observed through experimentation; it is the basis for orbital hybridization.

  5. 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 ...

  6. Bent's rule - Wikipedia

    en.wikipedia.org/wiki/Bent's_rule

    This is a weighted sum of the wavefunctions. Now choose a second hybrid orbital s + √ λ j p j, where p j is directed in some way and λ j is the amount of p character in this second orbital. The value of λ j and direction of p j must be determined so that the resulting orbital can be normalized and so that it is orthogonal to the first ...

  7. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The possible orbital symmetries are listed in the table below. For example, an orbital of B 1 symmetry (called a b 1 orbital with a small b since it is a one-electron function) is multiplied by -1 under the symmetry operations C 2 (rotation about the 2-fold rotation axis) and σ v '(yz) (reflection in the molecular

  8. Linear combination of atomic orbitals - Wikipedia

    en.wikipedia.org/wiki/Linear_combination_of...

    The coefficients are the weights of the contributions of the n atomic orbitals to the molecular orbital. The Hartree–Fock method is used to obtain the coefficients of the expansion. The orbitals are thus expressed as linear combinations of basis functions , and the basis functions are single- electron functions which may or may not be ...

  9. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    Each orbital in an atom is characterized by a set of values of three quantum numbers n, ℓ, and m ℓ, which respectively correspond to electron's energy, its orbital angular momentum, and its orbital angular momentum projected along a chosen axis (magnetic quantum number). The orbitals with a well-defined magnetic quantum number are generally ...