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Fullerene
About: Fullerene is a research topic. Over the lifetime, 12723 publications have been published within this topic receiving 359173 citations.
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TL;DR: 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.
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 l 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.
82 citations
TL;DR: In this article, the effect of photo harvesting antenna molecules at the interface of conducting polymer and carbon nanotube (NT) was discussed and novel concepts such as an interpenetrating network and a condensed interface were discussed.
Abstract: Various novel photo-physical properties such as a drastic photoluminescence quenching and photoconductivity enhancement and a photo-induced enhancement of low-field microwave absorption due to a highly effective photo-induced electron transfer have been observed in various conducting polymers doped with fullerenes and also acceptor-type molecules and conducting polymers. New types of junction devices utilizing effective charge separation at the interface of conducting polymer/C60, C60-doped conducting polymer/C60 and acceptor type conducting polymer / donor type conducting polymer have been proposed and their novel characteristics have been demonstrated. Novel concepts such as an interpenetrating network, a condensed interface and the effect of introduction of photo-harvesting antenna molecule at the interface have been discussed. Nano-composite films of carbon nanotube (NT) and conducting polymer were prepared. With increasing the volume fraction of NT in conducting polymer the conductivity incr...
82 citations
TL;DR: In this article, the synthesis and liquid-crystalline and thermal properties of a fullerene functionalized by a framework containing two cholesterol derivatives through a methanofullerene structure are reported.
Abstract: The synthesis and liquid-crystalline and thermal properties of a fullerene[60] functionalized by a framework containing two cholesterol derivatives through a methanofullerene structure are reported. The targeted fullerene derivative showed high thermal stability.
82 citations
TL;DR: In this paper, the crystal structure and properties of fullerenes are described and a mechanism for self-lubricatin is proposed, which can be used for various mechanical and tribological applications.
Abstract: The advent of techniques for producing gram quantities of a new form of stable, pure, solid carbon, designated as fullerene, opens a profusion of possibilities to be explored in many disciplines including tribology. Fullerenes take the form of hollow, geodesic domes, which are formed from a network of pentagons and hexagons with covalently bonded carbon atoms. The C60 molecule has the highest possible symmetry (icosaliedral) and assumes the shape of a soccer ball. At room temperature, fullerene molecules pack in a face centered cubic (fee) lattice bonded with weak van der Waals attractions. Fullerenes can be dissolved in solvents such as toluene and benzene and are easily sublimed. The low surface energy, high chemical stability, spherical shape, weak intermolecular bonding, and high load bearing capacity of C60 molecules offer potential for various mechanical and tribological applications. This paper describes the crystal structure and properties of fullerenes and proposes a mechanism for self-lubricatin...
82 citations
TL;DR: In this article, the relative energy of all 1735 hypothetical C40 cages that can be assembled from square, pentagonal, and hexagonal faces are calculated within two independent semi-empirical models.
Abstract: The energetic cost of introducing square faces to fullerenes with adjacent pentagons is investigated theoretically. Relative energies of all 1735 hypothetical C40 cages that can be assembled from square, pentagonal, and hexagonal faces are calculated within two independent semiempirical models. All isomers are found to lie in local minima on the potential surface. The QCFF/PI (quantum consistent force field/π) and DFTB (density functional tight binding) approaches agree in predicting that no cage with one or more squares is of lower energy than the best classical C40 fullerene but that many such cages are more stable than many C40 fullerenes. Energy penalties of 160−200 kJ mol-1 per square are suggested by the DFTB calculations, and penalties of about twice this size by the QCFF/PI model. The energy variation across the range of fullerenes and pseudofullerenes is steric in origin and correlates well with the normalized second moment of the hexagon neighbor signature: aggregation of hexagons in one part o...
82 citations