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Many aromatic and antiaromatic compounds (benzene and cyclobutadiene) are too small to have protons inside of the ring, where shielding and deshielding effects can be more diagnostically useful in determining if a compound is aromatic, antiaromatic, or nonaromatic. Nucleus Independent Chemical Shift (NICS) analysis is a method of computing the ...
The compound is the prototypical antiaromatic hydrocarbon with 4 pi electrons (or π electrons). It is the smallest [ n ]- annulene ([4]-annulene). Its rectangular structure is the result of a pseudo [ 3 ] - (or second order) Jahn–Teller effect , which distorts the molecule and lowers its symmetry, converting the triplet to a singlet ground ...
A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas.The reactant entities are given on the left-hand side and the product entities are on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. [1]
1,4-Dioxin (also referred as dioxin or p-dioxin) is a heterocyclic, organic, non-aromatic [2] compound with the chemical formula C 4 H 4 O 2.There is an isomeric form of 1,4-dioxin, 1,2-dioxin (or o-dioxin). 1,2-Dioxin is very unstable due to its peroxide-like characteristics.
Natural bond orbital (NBO) analysis of C 4 H 4 BH has been performed in order to understand the bonding of borole in the familiar Lewis picture. [5] According to the computational results, the occupancy of the two C−C π orbitals is about 1.9, with a tiny amount of electronic charge (an occupancy of 0.13) delocalised on the out-of-plane boron p orbital, illustrated below.
Cyclotetradecaheptaene, often referred to as [14]annulene, is a hydrocarbon with molecular formula C 14 H 14, which played an important role in the development of criteria (Hückel's rule) for aromaticity, a stabilizing property of central importance in physical organic chemistry. It forms dark-red needle-like crystals.
In physical chemistry, there are numerous quantities associated with chemical compounds and reactions; notably in terms of amounts of substance, activity or concentration of a substance, and the rate of reaction. This article uses SI units.
Two different resonance forms of benzene (top) combine to produce an average structure (bottom). In organic chemistry, aromaticity is a chemical property describing the way in which a conjugated ring of unsaturated bonds, lone pairs, or empty orbitals exhibits a stabilization stronger than would be expected by the stabilization of conjugation alone.