Electronic interactions in a new fullerene dimer: C(122)H(4), with two methylene bridges.

J Org Chem

Department of Applied Chemistry, University of Tokyo, and Japan Science and Technology Corporation, JST-CREST, Tokyo 113-8656, Japan.

Published: June 2000

The isolation of a new fullerene dimer, C(122)H(4), and its structural characterization by (13)C NMR and (1)H NMR spectroscopy and by UV/vis and IR spectroscopy are reported. The structure of this dimer consists of two fullerene cages, which are directly connected through two C-C bonds and two methylene bridges. Consequently, adjacent hexagonal faces of the two fullerene cages are arranged in a face to face manner. Molecular orbital calculations indicate that the proximity of the fullerene cages results in significant through space overlap in both the HOMO and LUMO. As a consequence of this overlap, the electrochemistry of the dimer shows electronic communication with stepwise reduction of each cage.

Download full-text PDF

Source
http://dx.doi.org/10.1021/jo991676jDOI Listing

Publication Analysis

Top Keywords

fullerene cages
12
fullerene dimer
8
dimer c122h4
8
methylene bridges
8
fullerene
5
electronic interactions
4
interactions fullerene
4
dimer
4
c122h4 methylene
4
bridges isolation
4

Similar Publications

We provide important novel insights into skeletal transformations of fullerene by reporting new cases of cage shrinkage in the most abundant C60 fullerene via a C2 loss. High-temperature (400-500 oC) chlorination of IPR C60 with SbCl5 or SbCl5/SbCl3 mixtures predominantly gives non-IPR C60Cln compounds via Stone-Wales rearrangements, but the present study further reveals non-classical C58Cln chlorofullerenes as by-products. The new C58(NC1)Cl20 and C58(NC1)Cl24 chlorides have been isolated by air-free HPLC and structurally characterized by X-ray crystallography.

View Article and Find Full Text PDF

ThCTi@(6)-C: Th═C Double Bond in a Mixed Actinide-Transition Metal Cluster.

J Am Chem Soc

January 2025

College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu 215123, P. R. China.

A thorium-carbon double bond that corresponds to the sum of theoretical covalent double bond radii has long been sought after in the study of actinide-ligand multiple bonding as a synthetic target. However, the stabilization of this chemical bond remains a great challenge to date, in part because of a relatively poor energetic matching between 5f-/6d- orbitals of thorium and the 2s-/2p- frontier orbitals of carbon. Herein, we report the successful synthesis of a thorium-carbon double bond in a carbon-bridged actinide-transition metal cluster, i.

View Article and Find Full Text PDF

Impact of confining hydrogen molecule inside fullerenes: A glance through DFT study.

J Mol Model

December 2024

Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario, L8S 4M1, Canada.

Context: In this work, we have studied different properties of a series of fullerenes, from C to C by confining hydrogen molecule inside their cavity. The compression of the hydrogen molecule upon encapsulation is evidenced by its altered bond length, while a slight expansion of the fullerene cages due to H confinement is also noted. The chemical reactivity parameters of both the empty and H confined fullerenes are computed, alongside an examination of the energy components through energy decomposition analysis.

View Article and Find Full Text PDF

Fluoride Clusterfullerenes: Tuning Metal-Metal Bonding and Magnetic Properties via Single Fluorine Atom Doping.

J Am Chem Soc

December 2024

College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu 215123, P. R. China.

Article Synopsis
  • Endohedral fullerenes are molecules that can encapsulate metal clusters, and this study introduces a new type called fluoride clusterfullerenes (FCFs).
  • The researchers successfully synthesized FCFs using various actinides, rare earth metals, and alkaline earth metals without needing extra modifications, revealing that adding a fluorine atom alters the metal-metal bonding significantly.
  • Their findings indicate that compounds like ThF@(7)-C and CaScF@(6)-C exhibit unique bonding interactions and promising magnetic properties, showcasing the potential of FCFs in future applications.
View Article and Find Full Text PDF

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 PDF

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!