Spherical aromaticity of fullerenes

M Bühl, A Hirsch - Chemical Reviews, 2001 - ACS Publications
When buckminsterfullerene was discovered in 1985, 1 Kroto suggested that it could be “the
first example of a spherical aromatic molecule”. Later, at about the time when Krätschmer …

Structural aspects of fullerene chemistry a journey through fullerene chirality

C Thilgen, F Diederich - Chemical reviews, 2006 - ACS Publications
The discovery of the fullerenes, the first molecular allotropes of carbon, in the gas phase in
19851 and the equally remarkable discovery of their synthesis in macroscopic amounts by …

Endohedral metallofullerenes

H Shinohara - Reports on Progress in Physics, 2000 - iopscience.iop.org
Endohedral metallofullerenes (fullerenes with metal atom (s) encapsulated) are novel forms
of fullerene-based materials which have attracted wide interest during the past eight years …

Small-bandgap endohedral metallofullerenes in high yield and purity

S Stevenson, G Rice, T Glass, K Harich, F Cromer… - Nature, 1999 - nature.com
The idea that fullerenes might be able to encapsulate atoms and molecules has been
verified by the successful synthesis of a range of endohedral fullerenes, in which metallic or …

Experiment versus time dependent density functional theory prediction of fullerene electronic absorption

R Bauernschmitt, R Ahlrichs, FH Hennrich… - Journal of the …, 1998 - ACS Publications
Time dependent density functional theory (TDDFT) was applied to a description of optically
allowed electronic transitions for C60 (I h), C70 (D 5 h), C76 (D 2), C78 (C 2 v), C78 (C 2 v ') …

Isolation and Structural Characterization of the Endohedral Fullerene Sc3N@C78

MM Olmstead, A de Bettencourt‐Dias… - Angewandte Chemie …, 2001 - Wiley Online Library
Although fullerenes with metals encapsulated within a cage of carbon atoms have been
known since the beginning of fullerene chemistry,[1] progress in exploring their chemical …

General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates

JM Campanera, C Bo, JM Poblet - … -INTERNATIONAL EDITION IN …, 2005 - hero.epa.gov
Ruling the cage: The bonding in trimetallic nitride template (TNT) endohedral
metallofullerenes is widely described by the ionic model Sc 3N6+@ Ck6-. The ability of the …

Electronic structures and spectral properties of endohedral fullerenes

S Guha, K Nakamoto - Coordination Chemistry Reviews, 2005 - Elsevier
Endohedral fullerenes belong to a new class of compounds which are technologically and
scientifically important owing to their unique structures and optoelectronic properties. This …

Bonding within the Endohedral Fullerenes Sc3N@C78 and Sc3N@C80 as Determined by Density Functional Calculations and Reexamination of the Crystal Structure of {Sc3N@C78}·Co(OEP)}·1.5(C …

JM Campanera, C Bo, MM Olmstead… - The Journal of …, 2002 - ACS Publications
Density functional calculations have been performed on Sc3N@ C80 and Sc3N@ C78 to
examine the bonding between the scandium atoms and the fullerene cage. The …

Trimetallic nitride endohedral metallofullerenes: Reactivity dictated by the encapsulated metal cluster

CM Cardona, A Kitaygorodskiy… - Journal of the American …, 2005 - ACS Publications
The first derivatives of Y3N@ C80 have been synthesized and fully characterized. 1, 3-
Dipolar cycloaddition of N-ethylazomethine ylide yielded mainly the pyrrolidine monoadduct …