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On Structural Factors Causing Stability Differences Between Conjugated Isomers

I. Gutman ; Theoretical Chemistry Group, Ruder Boskovic Institute, P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia
A. Graovac ; Theoretical Chemistry Group, Ruder Boskovic Institute, P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia

Sažetak

The difference in total pi-electron energy of two conjugated
isomers can be expressed as the integral < W(x) > of the function
W(x) have been determined. The main conclusion of this study
bining analytical and numerical methods various properties of
W(x) have been determined. The main conclusion of this study is
that the value of < W(x) > is determined grossly by W(O), namely
that algebraic structure count is the unique factor by wJ:\ich the
relative stability of isomers is governed. In such a way the basic
postulate of resonance theory has been justified.

Ključne riječi

Hrčak ID:

196340

URI

https://hrcak.srce.hr/196340

Datum izdavanja:

20.7.1977.

Posjeta: 604 *