ON THE TURKER ANGLES IN THE THEORY OF TOTAL PI-ELECTRON ENERGY

Authors
Citation
I. Gutman, ON THE TURKER ANGLES IN THE THEORY OF TOTAL PI-ELECTRON ENERGY, Turkish journal of chemistry, 22(4), 1998, pp. 399-402
Citations number
12
Categorie Soggetti
Chemistry,"Engineering, Chemical
ISSN journal
13000527
Volume
22
Issue
4
Year of publication
1998
Pages
399 - 402
Database
ISI
SICI code
1300-0527(1998)22:4<399:OTTAIT>2.0.ZU;2-K
Abstract
The Turker angles theta,alpha and beta are quantities invented by Lemi Turker, and are used in the theory of total n-electron energy (E) of unsaturated conjugated hydrocarbons. We report here expressions for th eta,alpha and beta in terms of E and the parameters n (= half the numb er of carbon atoms) and e (= the number of carbon-carbon bonds). The f orms of these expressions are remarkably similar. Numerical calculatio n performed on a representative set of benzenoid hydrocarbons reveals that the dependence of the angles alpha and beta on molecular structur e is very similar, and that their ratio is almost constant (alpha/beta approximate to 1.564 +/- 0.015).