scholarly journals U2N@Ih(7)-C80: fullerene cage encapsulating an unsymmetrical U(iv)NU(v) cluster

2021 ◽  
Vol 12 (1) ◽  
pp. 282-292
Author(s):  
Xiaomeng Li ◽  
Yannick Roselló ◽  
Yang-Rong Yao ◽  
Jiaxin Zhuang ◽  
Xingxing Zhang ◽  
...  
Keyword(s):  
Fullerene Cage ◽  
Unsymmetrical Structure

A novel actinide cluster, UNU, is stabilized inside a C80 fullerene cage. The U(iv)NU(v) cluster features two UN bonds with uneven bond distances of 2.058(3) Å and 1.943(3) Å, leading to an unsymmetrical structure.

Chlorination of C86 to C84Cl32 with Nonclassical Heptagon-Containing Fullerene Cage Formed by Cage Shrinkage

2010 ◽  
Vol 49 (28) ◽  
pp. 4784-4787 ◽  
Author(s):  
Ilya N. Ioffe ◽  
Chuanbao Chen ◽  
Shangfeng Yang ◽  
Lev N. Sidorov ◽  
Erhard Kemnitz ◽  
...  
Keyword(s):  
Fullerene Cage

Can a Metal-Metal Bond Hop in the Fullerene Cage?

2011 ◽  
Vol 17 (37) ◽  
pp. 10230-10234 ◽  
Author(s):  
Tao Yang ◽  
Xiang Zhao ◽  
Eiji Osawa
Keyword(s):  
Fullerene Cage ◽  
Metal Bond ◽  
Metal Metal

New bicyclic phosphonates of unsymmetrical structure

2018 ◽  
Vol 28 (6) ◽  
pp. 655-656 ◽  
Author(s):  
Yulia M. Sadykova ◽  
Larisa M. Sadikova ◽  
Alena V. Zalaltdinova ◽  
Anna G. Strelnik ◽  
Alexander R. Burilov ◽  
...  
Keyword(s):  
Unsymmetrical Structure

scholarly journals Fullerene Dissymmetrization as a Means to Achieve Single Enantiomer Electron Acceptors with Maximized Chiroptical Responsiveness

2020 ◽  
Author(s):  
Wenda Shi ◽  
Francesco Salerno ◽  
Alejandro Santana-Bonilla ◽  
Matthew Ward ◽  
Xueyan Hou ◽  
...  
Keyword(s):  
Electronic Materials ◽  
Light Response ◽  
Electron Acceptors ◽  
Fullerene Cage ◽  
Structure Property ◽  
Organic Electronic Devices ◽  
Organic Electronic ◽  
Structure Property Relationships ◽  
Organic Electronic Materials ◽  
Fast Light

<p>Solubilized fullerene derivatives have revolutionised the development of organic photovoltaic devices, acting as excellent electron acceptors. The addition of solubilizing addends to the fullerene cage results in a large number of isomers, which are generally employed as isomeric mixtures. Moreover, a significant number of these isomers are chiral, which further adds to the isomeric complexity. The opportunities presented by single isomer, and particularly single enantiomer, fullerenes in organic electronic materials and devices are poorly understood. Here we separate 10 pairs of enantiomers from the 19 structural isomers of bis[60]PCBM, using them to elucidate important chiroptical structure-property relationships and demonstrating their application to a single enantiomer circularly polarized (CP) light detecting device. We find that larger chiroptical responses occur through inherent chirality of the fullerene cage and particularly through transitions with low CT character. When used in a single enantiomer organic field-effect transistor device, we demonstrate the potential to discriminate CP light with a fast light response time and with a very high photocurrent dissymmetry factor (<i>g<sub>ph</sub></i> = ±1.35). Our study thus provides key strategies to design fullerenes with large chiroptical responses for use as single enantiomer components of organic electronic devices. We anticipate that our data will position chiral fullerenes as an exciting material class for the growing field of chiral electronic technologies.</p>

C60 UNDER PRESSURE

1992 ◽  
Vol 06 (19) ◽  
pp. 1153-1158 ◽  
Author(s):  
MANUEL NÚÑEZ-REGUEIRO
Keyword(s):  
Phase Diagram ◽  
High Pressure ◽  
High Temperatures ◽  
Room Temperature ◽  
Fullerene Cage ◽  
Temperature Phase ◽  
Bonded Phase ◽  
Temperature Phase Diagram

The high pressure experiments done on fullerenes are reviewed. C 60 has found to be stable up to about 20 GPa at room temperature and hydrostatic conditions. Application of stronger, or non-hydrostatic, pressures at room temperature can induce the formation of a partially sp3 bonded phase, that apparently conserves the fullerene cage. Extreme non-hydrostatic compressions above about 15 GPa can, though, break down the cage and produce amorphous or cubic diamond. Destruction of the cage at high temperatures has also been observed, but the resulting product is amorphous sp2 material. A preliminary pressure-temperature phase diagram for C 60 is proposed.

Optical properties of C28 fullerene cage: A DFT study

2018 ◽  
Author(s):  
Debolina Paul ◽  
Barnali Bhattacharya ◽  
Jyotirmoy Deb ◽  
Utpal Sarkar
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Fullerene Cage

scholarly journals An ab initio Hartree-Fock Investigation of Endohedral Sc@C82

1998 ◽  
Vol 53 (9) ◽  
pp. 801-805 ◽  
Author(s):  
Andrea Gruß ◽  
Michael C. Böhm ◽  
Joachim Schulte ◽  
Klaus-Peter Dinse
Keyword(s):  
Ab Initio ◽  
Minimum Energy ◽  
Fullerene Cage ◽  
Site Symmetry ◽  
Fold Axis ◽  
Hartree Fock ◽  
Endohedral Complex ◽  
Experimental Findings ◽  
Ab Initio Hf ◽  
Hf Calculations

Abstract The electronic structure of endohedral Sc@C82 with a C82 cage of C2v symmetry has been studied by ab initio Hartree-Fock (HF) calculations. The optimized position of Sc in the configuration of minimum energy is predicted to be on the two-fold axis of the fullerene cage. In the corresponding configuration Sc is above the center of a hexagon of site symmetry C2 . This structure of C2v symmetry is nearly degenerate with Cs and Ct structures with Sc slightly displaced from the center of the coordinated hexagon. The binding energy of the endohedral complex is larger than 3.55 eV. The ab initio HF data of the C2v topoisomer of the fullerene unit are compared with new experimental findings and HF results derived for the 3(C2) topoisomer of the C82 cage.

scholarly journals Au42: An Alternative Icosahedral Golden Fullerene Cage

ChemInform ◽  
2005 ◽  
Vol 36 (22) ◽  
Author(s):  
Yi Gao ◽  
Xiao Cheng Zeng
Keyword(s):  
Fullerene Cage

scholarly journals Quantum rotation of ortho and para-water encapsulated in a fullerene cage

2012 ◽  
Vol 109 (32) ◽  
pp. 12894-12898 ◽  
Author(s):  
C. Beduz ◽  
M. Carravetta ◽  
J. Y.- C. Chen ◽  
M. Concistre ◽  
M. Denning ◽  
...  
Keyword(s):  
Fullerene Cage
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