Structural features of cubic “polyhedra” up to 24 vertices with four-, five- and six-sided faces

作者: Mikhail V. Kirov

DOI: 10.1080/1536383X.2019.1574762

关键词:

摘要: AbstractWe present a complete list of three-dimensional structures corresponding to all cubic polyhedral graphs with the number vertices up 24, which have only square, pentagonal and hexagonal cycles. It can be considered as an Atlas possible small- middle-sized cages 4-coordinated frameworks. Adhering graph-theoretical terminology, we use term “polyhedron”. But, strictly speaking, most constructed figures are not polyhedra because their “faces” planar. In addition, many significantly different in shape from conventional fullerenes. The spiral codes used main topological identifier polyhedra. Three-dimensional coordinates calculated by minimizing sum squared deviations edge lengths distances between second neighbors idealized values. is concluded that minimum value this new supplementary an...

参考文章(36)
H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, R. E. Smalley, C 60 : Buckminsterfullerene Nature. ,vol. 318, pp. 162- 163 ,(1985) , 10.1038/318162A0
Gunnar Brinkmann, Brendan D McKay, Fast generation of planar graphs Match-communications in Mathematical and in Computer Chemistry. ,vol. 58, pp. 323- 357 ,(2007)
D. E. Manolopoulos, P. W. Fowler, An atlas of fullerenes Dover Publications. ,(1995)
Peter Schwerdtfeger, Lukas Wirz, James Avery, Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes Journal of Computational Chemistry. ,vol. 34, pp. 1508- 1526 ,(2013) , 10.1002/JCC.23278
D. Babić, N. Trinajstić, Stability of fullerenes with four-membered rings Chemical Physics Letters. ,vol. 237, pp. 239- 245 ,(1995) , 10.1016/0009-2614(95)00300-S
Xiang Zhao, Weiwei Wang, Jingshuang Dang, Role of four-membered rings in C32 fullerene stability and mechanisms of generalized Stone-Wales transformation: a density functional theory investigation Physical Chemistry Chemical Physics. ,vol. 13, pp. 14629- 14635 ,(2011) , 10.1039/C0CP02964E
P. W. Fowler, T. Heine, D. Mitchell, R. Schmidt, G. Seifert, Boron–nitrogen analogues of the fullerenes: the isolated-square rule Journal of the Chemical Society, Faraday Transactions. ,vol. 92, pp. 2197- 2201 ,(1996) , 10.1039/FT9969202197
Alexandru T Balaban, Thomas G Schmalz, Hongyao Zhu, Douglas J Klein, None, GENERALIZATIONS OF THE STONE-WALES REARRANGEMENT FOR CAGE COMPOUNDS, INCLUDING FULLERENES Journal of Molecular Structure-theochem. ,vol. 363, pp. 291- 301 ,(1996) , 10.1016/0166-1280(95)04448-5
D Babic, N Trinajstic, Planar rearrangements of fullerenes Journal of Molecular Graphics & Modelling. ,vol. 19, pp. 210- 215 ,(2001) , 10.1016/S1093-3263(00)00114-5