منابع مشابه
A test of Clar aromatic sextet theory
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)...
متن کاملOn a Graph - Theoretical Approach to Kekule Structures * . Novel Identities of Sextet Polynomials and a Relation to Clar ' s Sextet Theory
Kekule structures are transformed into the subspace of their double bonds to yield the correspondilng factor graphs, orig.inally called submolecules (8. E 1Bas i 1, Internat. J. Quantum Chem. 21 (1982) 771). A graiph-theoretical analysis of factor graphs is presented for certain classes o,f benzeno1i:d hydrocarbons. Such an analysis led to expressions for .the construction of sextet polynomials...
متن کاملAdvances 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...
متن کاملClar sextet analysis of triangular, rectangular, and honeycomb graphene antidot lattices.
Pristine graphene is a semimetal and thus does not have a band gap. By making a nanometer scale periodic array of holes in the graphene sheet a band gap may form; the size of the gap is controllable by adjusting the parameters of the lattice. The hole diameter, hole geometry, lattice geometry, and the separation of the holes are parameters that all play an important role in determining the size...
متن کاملForty years of Clar's aromatic π-sextet rule
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: Journal of the Serbian Chemical Society
سال: 2013
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc130520057g