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Clar's rule states that for a benzenoid polycyclic aromatic hydrocarbon (i.e. one with only hexagonal rings), the resonance structure with the largest number of disjoint aromatic π-sextets is the most important to characterize its chemical and physical properties.
Erich Clar (23 August 1902 – 27 March 1987) was an Austrian organic chemist, born in Hřensko, who studied polycyclic aromatic hydrocarbon chemistry. He is considered as the father of that field. [ 1 ]
According to Clar's rule, [20] the resonance structure of a PAH that has the largest number of disjoint aromatic pi sextets—i.e. benzene-like moieties—is the most important for the characterization of the properties of that PAH. [21] Benzene-substructure resonance analysis for Clar's rule
Triangulene (also known as Clar's hydrocarbon) is the smallest triplet-ground-state polybenzenoid. [1] It exists as a biradical with the chemical formula C 22 H 12. [2] It was first hypothesized by Czech chemist Erich Clar in 1953. [3]
Yet another method called the harmonic oscillator model of aromaticity (HOMA) [9] is defined as a normalized sum of squared deviations of bond lengths from the optimal value, which is assumed to be realized for a fully aromatic system. [10]
It can be described by 20 resonance structures or by a set of three mobile Clar sextets. In the Clar sextet case, most stable structure for coronene has only three isolated outer sextets as fully aromatic although superaromaticity would still be possible when these sextets are able to migrate into next ring.
It began with the Euler beta function model of Gabriele Veneziano in 1968 for a 4-particle amplitude which has the property that it is explicitly s–t crossing symmetric, exhibits duality between the description in terms of Regge poles or of resonances, and provides a closed-form solution to non-linear finite-energy sum rules relating s- and t ...
The Yukawa–Tsuno equation, first developed in 1959, [1] is a linear free-energy relationship in physical organic chemistry.It is a modified version of the Hammett equation that accounts for enhanced resonance effects in electrophilic reactions of para- and meta-substituted organic compounds.