Related Experiment Video
Updated: Jul 17, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Entrapped bonded hydrogen in a fullerene: the five-atom cluster Sc3CH in C80
Matthias Krause1, Frank Ziegs, Alexey A Popov
1Group of Electrochemistry and Conducting Polymers, Leibniz-Institute for Solid State and Materials Research Dresden, P.O. Box 270116, 01171 Dresden, Germany.
Abstract:
The synthesis and characterisation of the new endohedral cluster fullerene Sc(3)CH@C(80) is reported. The encapsulation of the first hydrocarbon cluster inside a fullerene was achieved by the arc burning method in a reactive CH(4) atmosphere. The extensive characterisation by mass spectrometry (MS), high- pressure liquid chromatography (HPLC), (45)Sc NMR, electron spin resonance (ESR), UV/Vis-NIR and Raman spectroscopy provided the experimental evidence for the caging of the five-atom Sc(3)CH cluster inside the C(80) cage isomer with icosahedral symmetry. The proposed new structure was confirmed by DFT calculations, which gave a closed shell and large energy gap structure. Thus a pyramidal Sc(3)CH cluster and the I(h)-C(80) cage were shown to be the most stable configuration for Sc(3)CH@C(80) whereas alternative structures give a smaller bonding energy as well as a smaller energy gap.
Related Concept Videos
Hybridization of Atomic Orbitals II
Hybridization of Atomic Orbitals I
Chair Conformation of Cyclohexane
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this staggered...
Conformations of Cyclohexane
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal tetrahedral value,...
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group with both...
VSEPR Theory and the Basic Shapes

