On the Türker Angles in the Theory of Total p-Electron Energy

Authors : Ivan GUTMAN

Pages : 399-402

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Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :The Türker angles q, a and b are quantities invented by Lemi Türker, and are used in the theory of total p-electron energy insert ignore into journalissuearticles values(E); of unsaturated conjugated hydrocarbons. We report here expressions for q, a and b in terms of E and the parameters n insert ignore into journalissuearticles values(= half the number of carbon atoms); and e insert ignore into journalissuearticles values(= the number of carbon-carbon bonds);. The forms of these expressions are remarkably similar. Numerical calculation performed on a representative set of benzenoid hydrocarbons reveals that the dependence of the angles a and b on molecular structure is very similar, and that their ratio is almost constant insert ignore into journalissuearticles values(a/b \approx 1.564 \pm 0.015);.
Keywords : Turk J Chem, 22, 1998, , 399 402 Turk J Chem, vol 22, iss 4