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Antiaromaticity is a chemical property of a cyclic molecule with a π electron system that has higher energy, i.e., it is less stable due to the presence of 4n ...
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.
Benzene, the most widely recognized aromatic compound with six delocalized π-electrons (4n + 2, for n = 1).. 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.
In contrast to the rarity of Möbius aromatic ground state molecular systems, there are many examples of pericyclic transition states that exhibit Möbius aromaticity. The classification of a pericyclic transition state as either Möbius or Hückel topology determines whether 4N or 4N + 2 electrons are required to make the transition state aromatic or antiaromatic, and therefore, allowed or ...
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.
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Alexander I. Boldyrev (December 19, 1951 - August 26, 2023) was a Russian-American computational chemist and R. Gaurth Hansen Professor at Utah State University.Professor Boldyrev is known for his pioneering works on superhalogens, superalkalis, tetracoordinated planar carbon, inorganic double helix, boron and aluminum clusters, and chemical bonding theory, especially aromaticity ...
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.