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On Instability of Fullerene C72 (CROSBI ID 139960)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Vukičević, Damir ; Gutman, Ivan ; Randić, Milan On Instability of Fullerene C72 // Croatica chemica acta, 79 (2006), 3; 429-436

Podaci o odgovornosti

Vukičević, Damir ; Gutman, Ivan ; Randić, Milan

engleski

On Instability of Fullerene C72

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.

fullerene; graph theoretical invariants; molecular descriptors

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Podaci o izdanju

79 (3)

2006.

429-436

objavljeno

0011-1643

Povezanost rada

Kemija, Matematika

Indeksiranost