Generalizations of the Stone-Wales rearrangement for cage compounds, including fullerenes

abstract

• Generalizations of the Stone-Wales (pyracylene) rearrangement are proposed for fullerenes and other cage compounds. These involve various numbers of pairs of hexagons fused via a zig-zag sequence of edges, ending in two faces which are polygons of any ring size. This generalized rearrangement may lead either to automerization, or more often to rearrangements changing one isomer of a cage into another. Applications to fullerenes with 5-and 6-membered rings are discussed, as well as other types of cages with larger and smaller rings.

authors

• Klein, Douglas

published proceedings

• JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

author list (cited authors)

• Balaban, A. T., Schmalz, T. G., Zhu, H. Y., & Klein, D. J.

citation count

• 26

complete list of authors

• Balaban, AT||Schmalz, TG||Zhu, HY||Klein, DJ

publication date

• April 1996

publisher

• Elsevier  Publisher

published in

• n0166-1280ISSN  Journal

keywords

• Buckminsterfullerene
• Fullerene Rearrangement
• Pyracylene Rearrangement
• Rearrangement Class
• Stone-wales Rearrangement

Digital Object Identifier (DOI)

• 10.1016/0166-1280(95)04448-5

start page

• 291

end page

• 301

volume

• 363

issue

• 3

URL

• http://dx.doi.org/10.1016/0166-1280(95)04448-5