Advances of Clar's Aromatic Sextet Theory and Randic´'s Conjugated Circuit Model
نویسندگان
چکیده
منابع مشابه
Advances of Clar's Aromatic Sextet Theory and Randić 's Conjugated Circuit Model
Clar's aromatic sextet theory provides a good means to describe the aromaticity of benzenoid hydrocarbons, which was mainly based on experimental observations. Clar defined sextet pattern and Clar number of benzenoid hydrocarbons, and he observed that for isomeric benzenoid hydrocarbons, when Clar number increases the absorption bands shift to shorter wavelength, and the stability of these isom...
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The Clar aromatic sextet theory predicts that the intensity of cyclic conjugation in chevron-type benzenoid hydrocarbons monotonically decreases along the central chain. This regularity has been tested by means of several independent theoretical methods (by the energy effects of the respective sixmembered rings, as well as by their HOMA, NICS, and SCI values, calculated at the B3LYP/6-311G(d,p)...
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The general Randić index Rα(G) is the sum of the weights (dG(u)dG(v)) over all edges uv of a (molecular) graph G, where α is a real number and dG(u) is the degree of the vertex u of G. In this paper, for any real number α ≤ −1, the minimum general Randić index Rα(T ) among all the conjugated trees (trees with a Kekulé structure) is determined and the corresponding extremal conjugated trees are ...
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In 1972 Erich Clar formulated his aromatic π-sextet rule that allows discussing qualitatively the aromatic character of benzenoid species. Now, 40 years later, Clar's aromatic π-sextet rule is still a source of inspiration for many chemists. This simple rule has been validated both experimentally and theoretically. In this review, we select some particular examples to highlight the achievement ...
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ژورنال
عنوان ژورنال: The Open Organic Chemistry Journal
سال: 2011
ISSN: 1874-0952
DOI: 10.2174/1874364101105010087