Kekulénoid Addition Patterns for Fullerenes and Some Lower Homologs Academic Article

abstract

• The challenging problem of the enumeration and generation of addition patterns for fullerenes such that the remnant -network has a Kekul structure (i.e., a nearest neighbor pairing pattern) is studied. A methodology to generate (and thence also to enumerate) these Kekulnoid addition patterns is described, and applied to several fullerenes of up to 36 carbons. Plya-theoretic (coloring) pattern counts which ignore Kekul structures are found to be much larger than the Kekulnoid-restricted counts. Evidence is marshaled for simple yet general approximate "asymptotic-flavored" formulas for the various counts. As a consequence, the number of Kekulnoid addition patterns C NH2m for buckminsterfullerene C60 is estimated. Overall, this is but 0.1% of the Plya-theoretic addition pattern counts for all numbers of addition sites.

authors

• Klein, Douglas

published proceedings

• BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

author list (cited authors)

• Babic, D., Došlic, T., Klein, D. J., & Misra, A..

citation count

• 6

complete list of authors

• Babic, D||Doslic, T||Klein, DJ||Misra, A

publication date

• November 2004

publisher

• The Chemical Society of Japan  Publisher

published in

• Bulletin of the Chemical Society of Japan  Journal

Digital Object Identifier (DOI)

• 10.1246/bcsj.77.2003

start page

• 2003

end page

• 2010

volume

• 77

issue

• 11

URL

• http://dx.doi.org/10.1246/bcsj.77.2003