Search results
Results from the WOW.Com Content Network
Hybridisation theory is an integral part of organic chemistry, one of the most compelling examples being Baldwin's rules. For drawing reaction mechanisms sometimes a classical bonding picture is needed with two atoms sharing two electrons. [5] Hybridisation theory explains bonding in alkenes [6] and methane. [7]
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 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 ...
Isovalent hybridization is used to explain bond angles of those molecules that is inconsistent with the generalized simple sp, sp 2 and sp 3 hybridization. For molecules containing lone pairs, the true hybridization of these molecules depends on the amount of s and p characters of the central atom which is related to its electronegativity.
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 organic chemistry, methenium (also called methylium, carbenium, [2] methyl cation, or protonated methylene) is a cation with the formula CH + 3. It can be viewed as a methylene radical (: CH 2) with an added proton (H +), or as a methyl radical (• CH 3) with one electron removed.
In organic chemistry, an anti-Bredt molecule is a bridged molecule with a double bond at the bridgehead. Bredt's rule is the empirical observation that such molecules only form in large ring systems. For example, two of the following norbornene isomers violate Bredt's rule, and are too unstable to prepare: Bridgehead atoms violating Bredt's ...
In these compounds, it is not possible for the carbon atoms to assume the 109.5° bond angles with standard sp 3 hybridization. Increasing the p-character to sp 5 (i.e. 1 ⁄ 6 s-density and 5 ⁄ 6 p-density) [5] makes it possible to reduce the bond angles to 60°. At the same time, the carbon-to-hydrogen bonds gain more s-character, which ...