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In organic chemistry, Baird's rule estimates whether the lowest triplet state of planar, cyclic structures will have aromatic properties or not. The quantum mechanical basis for its formulation was first worked out by physical chemist N. Colin Baird at the University of Western Ontario in 1972.
The prototypical example of antiaromaticity, cyclobutadiene, is the subject of debate, with some scientists arguing that antiaromaticity is not a major factor contributing to its destabilization. [2] Cyclooctatetraene appears at first glance to be antiaromatic, but is an excellent example of a molecule adopting a non-planar geometry to avoid ...
In organic chemistry, Möbius aromaticity is a special type of aromaticity believed to exist in a number of organic molecules. [ 1 ] [ 2 ] In terms of molecular orbital theory these compounds have in common a monocyclic array of molecular orbitals in which there is an odd number of out-of-phase overlaps, the opposite pattern compared to the ...
Clar's rule is widely applied in the fields of chemistry and materials science. For instance, Clar's rule can be used to predict several properties of graphene nanoribbons . [ 10 ] Aromatic π-sextets play an important part in the determination of the ground state of open shell biradical -type structures., [ 4 ] Clar's rule can rationalize the ...
Annulenes may be aromatic (benzene, [6]annulene and [18]annulene), non-aromatic ([8] and [10]annulene), or anti-aromatic (cyclobutadiene, [4]annulene). Cyclobutadiene is the only annulene with considerable antiaromaticity, since planarity is unavoidable.
In organic chemistry, Hückel's rule predicts that a planar ring molecule will have aromatic properties if it has 4n + 2 π-electrons, where n is a non-negative integer. The quantum mechanical basis for its formulation was first worked out by physical chemist Erich Hückel in 1931.
Early studies demonstrated that COT did not display the chemistry of an aromatic compound. [7] Then, early electron diffraction experiments concluded that the C-C bond distances were identical. [ 8 ] However, X-ray diffraction data from H. S. Kaufman demonstrated cyclooctatetraene to adopt several conformations and to contain two distinct C–C ...
Fragrance bottles. An aroma compound, also known as an odorant, aroma, fragrance or flavoring, is a chemical compound that has a smell or odor.For an individual chemical or class of chemical compounds to impart a smell or fragrance, it must be sufficiently volatile for transmission via the air to the olfactory system in the upper part of the nose.