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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.
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 ...
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
Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on a specific atom. They can be used to relate molecular orbital calculations to simple bonding theories, and also to speed up post-Hartree–Fock electronic structure calculations by taking ...
The hybrid can certainly be normalized, as it is the sum of two normalized wavefunctions. Orthogonality must be established so that the two hybrid orbitals can be involved in separate covalent bonds. The inner product of orthogonal orbitals must be zero and computing the inner product of the constructed hybrids gives the following calculation.
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.
A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry. [1] In quantum mechanics, electron configurations of atoms are described as wavefunctions .
For the hydrogen fluoride molecule, for example, two F lone pairs are essentially unhybridized p orbitals of π symmetry, while the other is an sp x hydrid orbital of σ symmetry. An analogous consideration applies to water (one O lone pair is in a pure p orbital, another is in an sp x hybrid orbital).