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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 ...
Bent's rule can be extended to rationalize the hybridization of nonbonding orbitals as well. On the one hand, a lone pair (an occupied nonbonding orbital) can be thought of as the limiting case of an electropositive substituent, with electron density completely polarized towards the central atom.
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 ...
Hybridization is a model that describes how atomic orbitals combine to form new orbitals that better match the geometry of molecules. Atomic orbitals that are similar in energy combine to make hybrid orbitals. For example, the carbon in methane (CH 4) undergoes sp 3 hybridization to form four equivalent orbitals, resulting in a tetrahedral shape.
The hybrid approach to constructing density functional approximations was introduced by Axel Becke in 1993. [1] Hybridization with Hartree–Fock (HF) exchange (also called exact exchange) provides a simple scheme for improving the calculation of many molecular properties, such as atomization energies, bond lengths and vibration frequencies, which tend to be poorly described with simple "ab ...
In fact, the carbon atoms in the single bond need not be of the same hybridization. Carbon atoms can also form double bonds in compounds called alkenes or triple bonds in compounds called alkynes. A double bond is formed with an sp 2-hybridized orbital and a p-orbital that is not involved in the hybridization. A triple bond is formed with an sp ...
These deviations from idealized sp 3 hybridization (75% p character, 25% s character) for tetrahedral geometry are consistent with Bent's rule: lone pairs localize more electron density closer to the central atom compared to bonding pairs; hence, the use of orbitals with excess s character to form lone pairs (and, consequently, those with ...
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