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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. For example, in a carbon atom which forms four single bonds ...
In quantum mechanics, an atomic orbital (/ ˈɔːrbɪtəl /) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the nucleus.
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. [1][2] The rule was stated by Henry A. Bent as follows: [2] Atomic s ...
Chemical bond. Covalent bonding of two hydrogen atoms to form a hydrogen molecule, H. 2. In (a) the two nuclei are surrounded by a cloud of two electrons in the bonding orbital that holds the molecule together. (b) shows hydrogen's antibonding orbital, which is higher in energy and is normally not occupied by any electrons.
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
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 ...
In chemistry, a molecular orbital (/ ɒrbədl /) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region.
Localized molecular 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 ...