作者: R. C. Haddon
DOI: 10.1002/(SICI)1096-987X(19980130)19:2<139::AID-JCC6>3.0.CO;2-V
关键词: Fullerene 、 Organometallic chemistry 、 Fullerene chemistry 、 Computational chemistry 、 Crystallography 、 Atom 、 Reactivity (chemistry) 、 Conjugated system 、 Metal 、 Carbon 、 Chemistry
摘要: The reactivity of the fullerenes is primarily a function their strain, as measured by pyramidalization angle or curvature conjugated carbon atoms. A consideration orientation π-orbitals shows that η2-complexation reactions lead to reaction products with are very similar those obtained from unstrained alkenes. Furthermore, large amount strain energy released in this reaction, so it clear just why important fullerene chemistry. On other hand, shown C60 poorly oriented for overlap an exohedral metal atom centered over five- six-membered rings, but well disposed endohedral under rings. © 1998 John Wiley & Sons, Inc. J Comput Chem 19: 139–143,