La2@C72: Metal-Mediated Stabilization of a Carbon Cage
نویسندگان
چکیده
In this study, we report production, isolation, and characterization for the relatively small endohedral metallofullerene, La2@C72. As described, La2@C72 is readily isolated from conventional electric-arc-generated carbon/metal soot. This new species was purified by HPLC chromatography and characterized by laser desorption mass spectrometry and UV-vis spectroscopy. The mass spectrum also demonstrates the presence of the monometal species, La@C72, but the absence of empty-cage C72. Since empty-cage C72 has not been successfully isolated to date, the results of the present study are in agreement with the argument for metalmediated stabilization of the C72 carbon cage by lanthanum ions. The chromatographic retention data suggest that the electronic structure of La2@C72 is consistent with a (La)2@C72 species and the prediction of a relatively small dipole moment.
منابع مشابه
Explanation of the different preferential binding sites for Ce and La in M 2 @ C 80 ( M 1⁄4 Ce , La ) — a density functional theory prediction
Metallofullerenes have many possible uses in technology and even in bio-medical applications. Some fullerenes have been found to have two incarcerated metal atoms such as M2@C80 (M 1⁄4 La, Ce, etc.). We have calculated the structural and electronic properties of Ce2@C80 using density functional theory (DFT). Ce is known to be preferentially incorporated into the Ih symmetric C80 isomer as La do...
متن کاملMetal-Polyhydride Molecules Are Compact Inside a Fullerene Cage.
Quantum chemical calculations show that metal-hydride molecules are more compact when they are placed inside a fullerene cage than when they are isolated molecules. The metal-hydrogen bond distance in ZrH4 becomes 0.15 Å shorter when it is placed inside a C60 cage. Metal-polyhydride molecules with a large number of H atoms such as ScH15 and ZrH16, which are not bound as isolated molecules, are ...
متن کاملFT-ICR Reaction Experiments and Molecular Dynamics Simulations of Precursor Clusters for SWNTs
The formation mechanism of single walled carbon nanotubes (SWNTs) is studied with cluster beam experiments and molecular dynamics simulations. A FT-ICR mass spectrometer directly connected to the laser-vaporization cluster beam source was employed to study the metal-carbon binary clusters generated by the laser-vaporization of Ni/Co loaded carbon materials used for the laser-furnace production ...
متن کاملMagnetic response properties of gaudiene - a cavernous and aromatic carbocage.
A spherical and cavernous carbocage molecule exhibiting faces with larger ring sizes than regular fullerenes is a suitable species for investigating how molecular magnetic properties depend on the structure of the molecular framework. The studied all-carbon gaudiene (C72) is a highly symmetrical molecule with three- and four-fold faces formed by twelve membered rings. Here, we attempt to unrave...
متن کاملSynthesis of long-sought C66 with exohedral stabilization.
Previously reported fused-pentagon fullerenes stabilized by exohedral derivatization do not share the same cage with those stabilized by endohedral encapsulation. Herein we report the crystallographic identification of (#4348)C66Cl10, which has the same cage as that of previously reported Sc2@C66. According to the geometrical data of (#4348)C66Cl10, both strain relief (at the fused pentagons) a...
متن کامل