论文信息 - Generalized Stone-Wales Transformations

Generalized Stone-Wales Transformations

Abstract We introduce a large class of transformations allowing rearrangements of the fullerene surface. We call this set of rearrangements generalized Stone-Wales transformations (gSW) because the well-known Stone-Wales (or pyracylene) flip may be seen as the simplest representative of the novel gSW family. The interconversion between the two C28 fullerene isomers is presented as a simple example of gSW application. Further examples involving the complete generation of C 60 and C 70 isomer spaces are provided. In both cases, just one fullerene molecule is used as seed data. Some considerations on gSW energetics are also reported.

[1] R. Whetten,et al. Fullerene Isomerism: Isolation of C2v,-C78 and D3-C78 , 1991, Science.

[2] D. Manolopoulos,et al. Theoretical studies of the fullerenes: C34 to C70 , 1991 .

[3] Ottorino Ori,et al. A topological study of the structure of the C76 fullerene , 1992 .

[4] P. Fowler,et al. Energetics of the Stone–Wales pyracylene transformation , 1992 .

[5] R. F. Curl. On the formation of the fullerenes , 1993, Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences.

[6] David E. Manolopoulos. Comment on “Favourable structures for higher fullerenes” , 1992 .

[7] Nenad Trinajstic,et al. Pyracylene Rearrangement Classes of Fullerene Isomers , 1993, Comput. Chem..

[8] Patrick W. Fowler,et al. Faraday communications. Hypothetical isomerisations of LaC82 , 1992 .

[9] J. Bernholc,et al. Isomerization of C60 fullerenes , 1992 .

[10] O. Ori,et al. Analysis of the structure of the C78 fullerene: A topological approach , 1993 .

[11] Isomerisations of the fullerenes , 1992 .

[12] Daoben Zhu,et al. Direct observation of C60 LB film with scanning tunneling microscopy , 1992 .

[13] D. Wales,et al. Theoretical studies of icosahedral C60 and some related species , 1986 .