Naslov
On the Benzenoid Character of Polycyclic Conjugated Hydrocarbons

Autori
Randić, Milan ; Nikolić, Sonja ; Trinajstić, Nenad

Izvornik
Gazzetta chimica italiana (0016-5603) 117 (1987), 2; 69-73

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Benzenoid Character ; Polycyclic Conjugated Hydrocarbons

Sažetak
Polycyclic conjugated hydrocarbons have previously been c1assified as aromatic, antiaromatic and non-aromatic depending on the presence of conjugated circuits of type 4n+2, 4n or both, respectively. Here we consider polycyclic conjugated hydrocarbons already c1assified as aromatic and propose to differentiate the degree of benzenoid character within such a c1ass. An index B is proposed which quantitatively measures the resemblance of benzenoid hydrocarbons to benzene. It is based on a partitioning of the molecular resonance energy into a part due to conjugated circuits RI (such as those that occur in benzene) and the remaining contributing conjugated circuits Rn, n not 1.The numerical values for the B-indices of different benzenoid systems fully agree with expectations based on intuitive and qualitative chemical considerations. In particular, the so-called fully benzenoid systems show the greatest similarity to benzene, as measured by the index B, thus vindicating the views of Eric Ciar.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA