Numbering of Fullerenes (IUPAC Recommendations 2004)

Rules for numbering (C60-Ih)[5,6]fullerene and (C70-D5h(6))[5,6]fullerene were codified in a publication "Nomenclature for the (C60-Ih)[5,6] and (C70-D5h(6))[5,6]fullerenes” published in Pure Appl. Chem.74 (4), 629-695 (2002). The current publication contains recommendations for numbering a wide variety of fullerenes of different sizes, with rings of different sizes, from C20 to C120, and of various point group symmetries, including low symmetries such as Cs, Ci, and C1, as well as many fullerenes that have been isolated and well characterized as pristine carbon allotropes or as derivatives. These recommendations are based on the principles established in the earlier publication and aim at the identification of a well-defined and preferably contiguous helical pathway for numbering. Rules for systematically completing the numbering of fullerene structures for which a contiguous numbering pathway becomes discontiguous are presente

Supramolekulare Strukturen zur Lichtabsorption

After a definition of and an introduction into supramolecular structures strategies are developed which lead to new material properties. The specific research topics discussed in this context and with this aim include chromoionophores, molecular switches, large cavities embraced by one or more azobenzene units and macrocyclic polyenes. It is demonstrated how light absorption can be manipulated by structural variations of the host structures and of the corresponding supramolecular complexes. The discussion is extended to new dyestuffs bearing small and large cavities, the light absorption of which can be manipulated and even switched selectively by matching metal ions and organic particles (host/guest interaction)

Self-assembly and two-dimensional spontaneous resolution of cyano-functionalized [7]helicenes on Cu111

Birds of a feather flock together: STM and DFT studies provide the first example of spontaneous chiral resolution of a helicene on a surface. Racemic 6,13-dicyano[7]helicene forms fully segregated domains of pure enantiomers (2D conglomerate) on Cu(111). The propensity of the system to optimize intermolecular CN⋅⋅⋅HC(Ar) hydrogen bonding and CN⋅⋅⋅CN dipolar interactions translates into chiral recognition with preferential assembly of homochiral molecules

Nomenclature for the C60-Ih and C70-D5h(6) fullerenes (IUPAC Recommendations 2002)

Fullerenes are a new allotrope of carbon characterized by a closed-cage structure consisting of an even number of three-coordinate carbon atoms devoid of hydrogen atoms. This class was originally limited to closed-cage structures with 12 isolated five-membered rings, the rest being six-membered rings. Although it was recognized that existing organic ring nomenclature could be used for these structures, the resulting names would be extremely unwieldy and inconvenient for use. At the same time it was also recognized that established organic nomenclature principles could be used, or adapted, to provide a consistent nomenclature for this unique class of compounds based on the class name fullerene. However, it was necessary to develop an entirely new method for uniquely numbering closed-cage systems. This paper describes IUPAC recommendations for naming and uniquely numbering the two most common fullerenes with isolated pentagons, the icosahedral C60 fullerene and a D5h-C70 fullerene. It also describes recommendations for adapting organic nomenclature principles for naming fullerenes with nonclosed-cage structures, heterofullerenes, derivatives formed by substitution of hydrofullerenes, and the fusion of organic rings or ring systems to the fullerene cage. Finally, this paper suggests methods for describing structures consisting of two or more fullerene units and for denoting configurations of chiral fullerenes and their derivative

Heat-induced formation of one-dimensional coordination polymers on Au(111): an STM study

The formation of one-dimensional coordination polymers of cyano- substituted porphyrin derivatives on Au(111) induced by thermal annealing is demonstrated by means of scanning tunnelling microscopy. The polymer is stabilised by an unusual threefold coordination motif mediated between an Au atom and the cyano groups of the porphyrin derivatives.ISSN:1359-7345ISSN:1364-548

Electron transfer modifies chemical properties of C70 fullerene surface: an ab initio molecular dynamics study of C70O3 molozonides doped with light atoms

Light metal atoms such as Li, K (electronic state S-2(1/2)) or Ca (S-1(0)) encapsulated in a C-70 cage considerably modifies the chemical properties of the fullerene surface due to metal-to-cage electron transfer. H-doped and anion ozonide systems were also considered to validate the electron transfer hypothesis. The relative stabilities of the eight isomers of the C70O3 molozonide series at room temperature depend on the identity of the endohedral guest, as was the preferred channel for thermal decomposition. No electron transfer was observed for the complex N@C-70 where the fullerene acts as an inert container for the S-4(3/2) radical. (C) 2014 Elsevier B.V. All rights reserved