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  2. Orbital hybridisation - Wikipedia

    en.wikipedia.org/wiki/Orbital_hybridisation

    Chemist Linus Pauling first developed the hybridisation theory in 1931 to explain the structure of simple molecules such as methane (CH 4) using atomic orbitals. [2] Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond ...

  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. 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.

  5. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    For example, the carbon in methane (CH 4) undergoes sp 3 hybridization to form four equivalent orbitals, resulting in a tetrahedral shape. Different types of hybridization, such as sp, sp 2, and sp 3, correspond to specific molecular geometries (linear, trigonal planar, and tetrahedral), influencing the bond angles observed in molecules. Hybrid ...

  6. 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.

  7. Bent's rule - Wikipedia

    en.wikipedia.org/wiki/Bent's_rule

    The s orbital is normalized and so the inner product s | s = 1. Also, the s orbital is orthogonal to the p i and p j orbitals, which leads to two terms in the above equaling zero. Finally, the last term is the inner product of two normalized functions that are at an angle of ω ij to each other, which gives cos ω ij by definition.

  8. 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 ...

  9. 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