Croatica Chemica Acta, Vol. 44 No. 2, 1972.
Izvorni znanstveni članak
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
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
Datum izdavanja:
15.7.1972.
Posjeta: 924 *