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Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates (CROSBI ID 140148)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Balaban, Alexandru ; Randić, Milan ; Vukičević, Damir Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates // Journal of mathematical chemistry, 43 (2008), 2; 773-779. doi: 10.1007/s10910-007-9230-1

Podaci o odgovornosti

Balaban, Alexandru ; Randić, Milan ; Vukičević, Damir

engleski

Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates

We report for the trivalent regular and semiregular polyhedra (three Platonic and seven Archimedean carbon polyhedra) the pi-electron partition between rings of various sizes based on considering all their resonance structures. It was found that small odd-membered (3-and 5-membered) faces are assigned a lower share of pi-electrons than that corresponding to equipartition (i.e., 1/3 of an electron for carbon atoms shared between three rings). In contrast, 4-membered rings obtain a larger share of pi-electrons than that corresponding to equipartition.

regular (platonic) polyhedra; semiregular (archimedean) polyhedra; partition of pi-electrons between faces

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Podaci o izdanju

43 (2)

2008.

773-779

objavljeno

0259-9791

10.1007/s10910-007-9230-1

Povezanost rada

Kemija, Matematika

Poveznice
Indeksiranost