Exohedral C60-based metallofullerenes, CsC60, have been synthesized and successfully encapsulated into single-wall carbon nanotubes (SWNTs) in high yield by reducing C60 molecules into anions. High-resolution transmission electron microscopy (HRTEM) images and in situ electron energy loss spectroscopy (EELS) indicate that Cs atoms and C60 molecules align within SWNTs as CsC60 exohedral metallofullerenes, and that the formal charge state of encaged CsC60 is expressed as Cs+1C60-1. The present peapods with the exohedral metallofullerenes provide a new insight and the possibility to fine-tune the electronic and transport properties of carbon nanotubes.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/ja056238a | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Spin probe for dynamics of the internal cluster in endohedral metallofullerenes.
Chem Commun (Camb)
December 2024
MOE Key Laboratory of Cluster Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 102488, China.
Endohedral metallofullerenes (EMFs) are constructed by fullerene cages encapsulating various metal atoms or metal clusters, which usually exhibit some motion. However, due to the fact that the elusive endohedral dynamics are related to many factors, it remains a challenge to image the motion of internal species. Recently, the electron spin was found to be a sensitive probe to detect the motion of internal species in EMFs.
View Article and Find Full Text PDF20-electron exohedral alkaline-earth metallofullerenes M(C) (M = Ca, Sr, and Ba).
Phys Chem Chem Phys
December 2024
MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
Electron-counting rules are promising for determination of chemically stable complexes for various elemental groups. While the 18-electron rule has been established for transition metals, recent experiments have discovered that alkaline-earth metals may follow a 20-electron rule when coordinated with CO or benzene. Herein, by employing first-principles calculations at the level of the generalized gradient approximation functional combined with the def2-SVP basis set, we theoretically predict a series of stable 20-electron exohedral alkaline-earth metallofullerenes, in which each alkaline-earth metal is η-coordinated with three Cs, leading to stable trigonal pyramidal structures.
View Article and Find Full Text PDFComputational insights into Diels-Alder reactions of paramagnetic endohedral metallofullerenes: M@C (M = Sc, Y, La) and La@C.
Phys Chem Chem Phys
October 2024
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, P. R. China.
Article Synopsis
- Diels-Alder cycloaddition is crucial for modifying fullerenes, particularly in understanding how metal incorporation affects their structure and reactivity.
- The reaction between cyclopentadiene and different metal-containing fullerenes (Sc, Y, La) was examined using computational methods to explore reaction mechanisms and regioselectivity.
- Results indicate that all three metals preferred a concerted reaction focusing on specific bonds, aligning with past studies, and showed that solvent effects slightly impacted reaction energies but not regioselectivity.
Exohedral Diels-Alder Reactivity of Endohedral Metallofullerene C.
Chemistry
October 2024
Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Parc R+i Univ. Girona, Ed. Monturiol, c/Emili Grahit 91, 17003, Girona, Spain.
Understanding the exohedral reactivity of metallofullerenes is crucial for its application in various fields. By systematically controlling the trapped species inside the fullerene its reactivity can be tamed. In this work we report the preferential position of 3d metal atoms inside the C cage and their effect on exohedral reactivity in comparison with the neutral and the dianionic cage.
View Article and Find Full Text PDFPublisher's Note: "Assembly-inspired multiferroicity with nontrivial Chern insulating phase from exohedral metallofullerenes" [J. Chem. Phys. 160, 184302 (2024)].
J Chem Phys
May 2024
MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!