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Huckel Molecular Orbital Calculations of Aromatic Stabilization of Annulenes

I. Gutman ; Institute »Ruder Boskovic« P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia
M. Milun ; Institute »Ruder Boskovic« P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; Institute »Ruder Boskovic« P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia


Puni tekst: engleski pdf 5.816 Kb

str. 207-213

preuzimanja: 253

citiraj


Sažetak

Annulenes were studied using the concept of aromatic stabilization.
A simple expression is presented for the calculation of
aromatic stabilization of annulenes. The index of aromatic stabilization
differentiates correctly between the [4n + 2] - and [4n]
-annulenes. The analysis of the approach of Kruszewski and
Krygowski shows that their KK index differs only by a constant
from the value of aromatic stabilization of a particular annulene.
Similarly, the relation between REPE values of Hess and Schaad
and indices of aromatic stabilization is discussed.

Ključne riječi

Hrčak ID:

197266

URI

https://hrcak.srce.hr/197266

Posjeta: 390 *