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Relevant academic research and scientific papers

Lu2@C2n (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages

Although most of the M2C2n-type metallofullerenes (EMFs) tend to form carbide cluster EMFs, we report herein that Lu-containing EMFs Lu2C2n (2n = 82, 84, 86) are actually dimetallofullerenes (di-EMFs), namely, Lu2@Cs(6)-C82, Lu2@C3v(8)-C82, Lu2@D2d(23)-C84, and Lu2@C2v(9)-C86. Unambiguous X-ray results demonstrate the formation of a Lu-Lu single bond between two lutetium ions which transfers four electrons in total to the fullerene cages, thus resulting in a formal divalent state for each Lu ion. Population analysis indicates that each Lu atom formally donates a 5d electron and a 6s electron to the cage with the remaining 6s electron shared with the other Lu atom to form a Lu-Lu single bond so that only four electrons are transferred to the fullerene cages with the formal divalent valence for each lutetium ion. Accordingly, we confirmed both experimentally and theoretically that the dominating formation of di-EMFs is thermodynamically very favorable for Lu2C2n isomers.

An epilogue on the C78-fullerene family: The discovery and characterization of an elusive isomer

(Figure Presented) Missing relative found: The last representative of the first multi membered fullerene family, C78(4), has been synthesized and isolated. Its connectivity pattern was confirmed by a single-crystal X-ray analysis of its chlorinated derivative C78(4)Cl18 (see picture). The crystal structure also reveals the presence of unusual, short intermolecular chlorine contacts.

Single-stage plasma-arc synthesis of metallo-endofullerences

Single-stage plasma-arc synthesis of metallo-endofullerences of the types C60Pd, C60Ni, and C60Cr, whose content in a mixture of extracted fullerenes was 0.05 to 0.15 wt %, was performed. The effect of introduction of these metals into the reaction plasma on the total yield of fullerenes and on the fraction composition of the fullerene mixture was studied. The fullerene mixtures were analyzed by mass spectrometry and liquid chromatography.

A catalytic synthesis and structural characterization of a new [84]fullerene isomer

The synthesis, separation and isolation of a new [84]fullerene isomer from arc-burned soot of dysprosium-doped graphite composite rods is reported; high-resolution 13C NMR and electronic absorption UV-VIS-NIR spectroscopy were used to characterize this material, which was found to possess C2 molecular symmetry; the successful synthesis of the new [84-C2]fullerene isomer can be ascribed to a catalytic role played by the doped Dy metal atoms in the composite rods.

In situ laser-furnace TOF mass spectrometry of C36 and the large-scale production by arc-discharge

A greatly improved synthesis of C36, obtained as its hydrides C36H4 and C36H6 and oxyhydrides C36H4O and C36H6O, via a high- temperature laser vaporization (laser-furnace) method and the conventional DC arcdischarge method is reported. We have found that doping metal catalysts such as Ni/Co or Ni/Y into the laser target graphite rod or the DC arc-discharge electrode, respectively, significantly enhanced the production of C36 species; the methods have been known for efficient production methods of single-wall carbon nanotubes (SWNTs). The results suggest that the catalytic formation of C36 species and SWNTs is closely related with each other in their early stage of formation. Furthermore, a molecular C36H6 gives C18H3 (in/z = 219) as a magic fragment upon desorption/ionization. By using a high-performance liquid chromatography (HPLC),. C36H6 was purified (99%) in milligram quantity for the first time. The purified C36H6 exists as a clusterassembled material such as oligomers or clusters in the solid state, not as a molecular crystal such as C60.

Isolation and crystallographic characterization of ErSc2N@C80: An endohedral fullerene which crystallizes with remarkable internal order

The ErnSc3-nN@C80 (n = 0-3) family of four endohedral fullerenes has been prepared by vaporization of graphite rods packed with 2% Sc2O3/3% Er2O3/95% graphite powder in a Kraetschmer-Huffman fullerene generator under dynamic flow of helium and dinitrogen. ErSc2N@C80 has been isolated in pure form via three stages of high-pressure liquid chromatography and characterized by mass spectrometry. The first structure of a mixed metal endohedral, ErSc2N@C80, has been determined by single-crystal X-ray diffraction at 90 K on ErSc2N@C80·CoII(OEP)·1.5C 6H6·0.3CHCl3, which was obtained by diffusion of a solution of ErSc2N@C80 in benzene into a solution of CoII(OEP) (OEP is the dianion of octaethylporphyrin) in chloroform. The structure of ErSc2N@C80 consists of a planar ErSc2N unit surrounded by an icosahedral C80 cage. The nominal Er-N distance is 2.089(9) A and the Sc-N distance is, as expected, shorter, 1.968(6) A. Despite its location within the C80 cage, the ErSc2N unit displays a remarkable degree of order within the solid-state structure. The metal ions make close contact with individual carbon atoms of the cage with shortest Sc-C distances, in the range of 2.03-2.12 A, and shortest Er-C distances of 2.20 and 2.22 A. Two different, but equally populated, orientations of the Ih C80 cage were required to describe the fullerene portion of the structure. Although these C80 cages are located on a crystallographic mirror plane, that plane does not coincide with a mirror plane of the cages themselves. Consequently, the cage is disordered over four superimposed sites.

Production of fullerenes and single-wall carbon nanotubes by high-temperature pulsed arc discharge

Fullerenes and single-wall carbon nanotubes (SWNTs) have been produced for the first time by the high-temperature pulsed arc-discharge technique, which has developed in this laboratory. Fullerenes are identified quantitatively by high-performance liquid chromatography (HPLC), and scanning electron microscopy (SEM) and transmission electron microscopy (TEM) observations reveal a significant amount of production of bundles of SWNTs in soot. The pulse arc production of fullerenes and SWNTs favors the high-temperature (≥ 1000°C), long pulses (≥ 1 ms) and a heavy rare gas such as Ar or Kr as a buffer gas. We have found that fullerenes and SWNTs have complementary relationships in their early stage of production. The details of the pulsed arc discharge have been obtained by observing the transition from the pulsed arc discharge to the steady arc discharge while increasing the pulse width.