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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. HOMO and LUMO - Wikipedia

    en.wikipedia.org/wiki/HOMO_and_LUMO

    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. In chemistry, HOMO and LUMO are types of molecular orbitals.

  5. 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.

  6. Isolobal principle - Wikipedia

    en.wikipedia.org/wiki/Isolobal_principle

    Figure 5: Molecular orbital diagram depiction of frontier orbitals in methane and a basic ML 6 metal complex. As seen above, when a fragment is formed from CH 4, one of the sp 3 hybrid orbitals involved in bonding becomes a nonbonding singly occupied frontier orbital. The frontier orbital’s increased energy level is also shown in the figure.

  7. Sigma-pi and equivalent-orbital models - Wikipedia

    en.wikipedia.org/wiki/Sigma-pi_and_equivalent...

    An analogous consideration applies to water (one O lone pair is in a pure p orbital, another is in an sp x hybrid orbital). The question of whether it is conceptually useful to derive equivalent orbitals from symmetry-adapted ones, from the standpoint of bonding theory and pedagogy, is still a controversial one, with recent (2014 and 2015 ...

  8. Bent's rule - Wikipedia

    en.wikipedia.org/wiki/Bent's_rule

    Shape of water molecule showing that the real bond angle 104.5° deviates from the ideal sp 3 angle of 109.5°.. In chemistry, Bent's rule describes and explains the relationship between the orbital hybridization and the electronegativities of substituents.

  9. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    For instance, the lone pairs of water are usually treated as two equivalent sp x hybrid orbitals, while the corresponding "nonbonding" orbitals of carbenes are generally treated as a filled σ(out) orbital and an unfilled pure p orbital, even though the lone pairs of water could be described analogously by filled σ(out) and p orbitals (for ...