Fullerenes: Principles and Applications by Fernando Langa De La Puente, Jean-Francois Nierengarten,

By Fernando Langa De La Puente, Jean-Francois Nierengarten, Paul O'Brien, Harold Craighead, Harry Kroto, Pietrick Hudhomme, Hiroshi Imahori, Dirk Guldi, Francesco Paolucci, Robert Deschenaux, Nazario Martin, Francesco Giacalone, Maurizio Prato, Alberto Bianc

The discovery of caged carbon buildings, in 1985, confirmed an entire new box of carbon chemistry. in contrast to graphite and diamond, those constructions often called fullerenes are finite in constitution and are proper to a large choice of fields together with supramolecular assemblies, nanostructures, optoelectronic units and a complete diversity of organic actions. Fullerenes: ideas and purposes discusses all features of this fascinating box. Sections contain: the elemental rules for the chemical reactivity of fullerenes, electrochemistry, mild precipitated techniques, fullerenes for fabric sciences, fullerenes and sun cells, organic functions and multifunctional carbon nanotube fabrics. Written through best specialists within the box the ebook summarises the elemental rules of fullerene chemistry but additionally highlights essentially the most impressive advances that experience happened lately. the second one variation of this interesting identify has been absolutely up to date and revised. New sections hide numerous new themes together with the fundamental rules for the chemical reactivity of fullerenes, electrochemistry, mild prompted techniques, fullerenes for fabric sciences, fullerenes and sunlight cells, organic functions and multifunctional carbon nanotube fabrics. Written by means of best specialists within the box the second one version summarises the elemental rules of fullerene chemistry but in addition highlights the most outstanding advances that experience happened lately. This publication will entice researchers in either academia and industry.

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2). 2 (c) (e) DFT-optimised molecular structures: (a) Y3C2@C78-D3h (5); (b) Y3C2@C78C2(22010); (c) Y3@C80-Ih(7); (d) Y3C2@C96-D2(186); (e) Y3@C98-C2(166) (ref. 36). Copyright r 2010, American Chemical Society. 18 Chapter 2 52 nitrogen gas as the nitrogen source. The crystallographic data could not locate the specific position of N but the DFT calculation suggested that the N atom is located at a 665 site, symmetrically between the two metal atoms. The EPR study of Y2@C79N showed that there is a considerable amount of spin density localised on the two equivalent yttrium nuclei.

The HOMO of Sc4(m3-O)2@Ih-C80 is delocalised over the four Sc ions. The analysis of atomic charges shows that this metallic oxide EMF has a special mixed-valence cluster that gives rise to an electronic structure of (Sc2,331)2(Sc1,421)2(O2–)2@(Ih-C80)6–. For Sc4(m3-O)3@Ih-C80, however, the HOMO is localised on the carbon cage and the LUMO is localised on the metal cluster, which resembles that of Sc3N@Ih-C80. The additional third oxygen atom in the cluster of Sc4(m3-O)3@Ih-C80 gives rise to four fully oxidised Sc ions with an oxidation state of 3 þ compared with the mixed-valence cluster in the Sc4(m3-O)2@Ih-C80.

97 This is presumably due to the similar electronic structures of Pr, Nd and Ce. The electrochemistry of Nd3N@C96, Pr3N@C96 and Ce3N@C96 were also studied. 7 Metallic Oxide EMFs Oxygen had been long viewed as a must-be-avoided gas in the arcing process and considered to have adversely affected the formation of endohedral fullerenes. However, Stevenson et al. 17,127,128 The increasing flow rate of air improved the production of metallic oxide EMFs. 127 Sc4O3@C80 shows the entrapment of a seven-atom cluster into the carbon cage that is, by far, the largest encapsulated cluster ever found inside a fullerene carbon cage.

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