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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.
A trick is to count up valence electrons, then count up the number of electrons needed to complete the octet rule (or with hydrogen just 2 electrons), then take the difference of these two numbers. The answer is the number of electrons that make up the bonds. The rest of the electrons just go to fill all the other atoms' octets.
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
The replica trick postulates that if can be calculated for all positive integers then this may be sufficient to allow the limiting behavior as to be calculated. Clearly, such an argument poses many mathematical questions, and the resulting formalism for performing the limit n → 0 {\displaystyle n\to 0} typically introduces many subtleties.
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.
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.
Bredt's rule also applies to carbocations and, to a lesser degree, free radicals, because these intermediates also prefer a planar geometry with 120° angles and sp 2 hybridization. It generally does not apply to hypervalent heteroatoms, although they are commonly written with a formal double bond. [6]
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 ...