Naslov
On Instability of Fullerene C72

Autori
Vukičević, Damir ; Gutman, Ivan ; Randić, Milan

Izvornik
Croatica chemica acta (0011-1643) 79 (2006), 3; 429-436

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

Ključne riječi
fullerene; graph theoretical invariants; molecular descriptors

Sažetak
The most important fullerene is buckminsterfullerene C-60, obtained by leap-frog transformation of the fullerene C-20. The second smallest fullerene obtained by leap-frog transformation is C-72 (obtained from C-24). It is surprising that C-72 is unstable. The standard explanation of this fact is based on steric strain resulting from the existence of two hexagons, each surrounded by 6 hexagons. By analyzing the pi-electron content, it is demonstrated that these hexagons show some >> pentagon-like << behavior that may be the cause (or an additional cause) of the instability of C-72. Hence, it is shown that there may be topological (non-steric) reasons for the instability of C-72.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

POVEZANOST RADA