Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C60

Journal article


Publication Details

Author(s): Mauser H, van Eikema Hommes N, Hirsch A, Clark T
Journal: Journal of Molecular Modeling
Publisher: Springer Verlag (Germany)
Publication year: 1997
Volume: 3
Journal issue: 10
Pages range: 415-422
ISSN: 0948-5023
Language: English


Abstract


Do the chemical properties of the surface of a carbon sheet depend on its shape? This question addresses a criterion for chemical behaviour that has hardly been investigated previously. The current neglect of this question may be due to the fact that suitable model systems with easily distinguishable graphitic surfaces were essentially unknown until the discovery [1] and synthesis [2,3,4] of fullerenes, nanotubes and other related forms of carbon. In this study, we present the first systematic comparison of the chemical behaviour of the convex outer and the concave inner surfaces of C-60 by analysing the results of semiempirical and DFT calculations on exohedral and endohedral complexes with H- and F-atoms as well as with the methyl radical. We show that such extremely reactive species are trapped by the extraordinary inert inner surface of C-60 and do not undergo chemical reactions.



FAU Authors / FAU Editors

Clark, Timothy apl. Prof. Dr.
Computer-Chemie-Centrum
Hirsch, Andreas Prof. Dr.
Lehrstuhl für Organische Chemie II
van Eikema Hommes, Nico Dr.
Computer-Chemie-Centrum


How to cite

APA:
Mauser, H., van Eikema Hommes, N., Hirsch, A., & Clark, T. (1997). Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C60. Journal of Molecular Modeling, 3(10), 415-422. https://dx.doi.org/10.1007/s008940050059

MLA:
Mauser, Harald, et al. "Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C60." Journal of Molecular Modeling 3.10 (1997): 415-422.

BibTeX: 

Last updated on 2018-19-04 at 02:36