Partition of Pi-Electrons between Faces of Polyhedral Carbon Aggregates (CROSBI ID 140148)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
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