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Croatica Chemica Acta, Vol. 79 No. 3, 2006.

Izvorni znanstveni članak

Kekulé Structures of Fullerene C70

Milan Randić
Damir Vukičević

Puni tekst: engleski, pdf (544 KB) str. 471-481 preuzimanja: 1.337* citiraj
APA 6th Edition
Randić, M. i Vukičević, D. (2006). Kekulé Structures of Fullerene C70. Croatica Chemica Acta, 79 (3), 471-481. Preuzeto s https://hrcak.srce.hr/5657
MLA 8th Edition
Randić, Milan i Damir Vukičević. "Kekulé Structures of Fullerene C70." Croatica Chemica Acta, vol. 79, br. 3, 2006, str. 471-481. https://hrcak.srce.hr/5657. Citirano 26.02.2021.
Chicago 17th Edition
Randić, Milan i Damir Vukičević. "Kekulé Structures of Fullerene C70." Croatica Chemica Acta 79, br. 3 (2006): 471-481. https://hrcak.srce.hr/5657
Harvard
Randić, M., i Vukičević, D. (2006). 'Kekulé Structures of Fullerene C70', Croatica Chemica Acta, 79(3), str. 471-481. Preuzeto s: https://hrcak.srce.hr/5657 (Datum pristupa: 26.02.2021.)
Vancouver
Randić M, Vukičević D. Kekulé Structures of Fullerene C70. Croatica Chemica Acta [Internet]. 2006 [pristupljeno 26.02.2021.];79(3):471-481. Dostupno na: https://hrcak.srce.hr/5657
IEEE
M. Randić i D. Vukičević, "Kekulé Structures of Fullerene C70", Croatica Chemica Acta, vol.79, br. 3, str. 471-481, 2006. [Online]. Dostupno na: https://hrcak.srce.hr/5657. [Citirano: 26.02.2021.]

Sažetak
Despite that, besides Buckminsterfullerene C60, fullerene C70 is the next most stable structure, there are considerable differences in structural properties of these two most common fullerenes. The paper reports on numerous mathematical properties of the set of Kekulé structures of C70. Of over 50,000 Kekulé structures of fullerene C70, only 2780 Kekulé valence structures are distinct, while all the others are symmetry related. The subset of distinct Kekulé valence structures was examined and classified into six classes according to the degree of freedom (df), varying from df = 5 to df = 11. Enumeration of conjugated circuits R1, R2 and R3 points to two symmetry related dominant Kekulé structures having the maximal number of 20 R1. There are 16 distinct symmetry unrelated Kekulé structures of C70 that have no conjugated circuits R1 at all.

Ključne riječi
fullerene; Kekulé structures; conjugated circuits; Resonance Graph

Hrčak ID: 5657

URI
https://hrcak.srce.hr/5657

Posjeta: 1.696 *