Issue 41, 2011
From the journal:

Dalton Transactions

C76 fullerene chlorides and cage transformations. Structural and theoretical study†

Ilya N. Ioffe,a   Olga N. Mazaleva,a   Chuanbao Chen,b   Shangfeng Yang,b   Erhard Kemnitzc  and  Sergey I. Troyanov*a  

* Corresponding authors

a Chemistry Department, Moscow State University, Leninskie Gory, Moscow, Russia
E-mail: stroyano@thermo.chem.msu.ru
Fax: +007 495 9391240
Tel: +007 495 9395396

b Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion & Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei, China
E-mail: sfyang@ustc.edu.cn
Fax: +86 551 3601750
Tel: +86 551 3601750

c Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor.-Str.2, Berlin, Germany
E-mail: erhard.kemnitz@chemie.hu-berlin.de
Fax: +49 030 20937277
Tel: +49 030 20937555

Abstract

Chlorination of the D2-C76 fullerene under various conditions is studied in detail. It is found that, in addition to the previously known C76Cl18 and C76Cl34, a number of intermediate chlorides are formed, with all molecules falling into two structural types. The first type is observed in the C76Cl18–C76Cl28 range, whereas further chlorination provides the C76Cl30–C76Cl34 compounds of the second type exhibiting a major change in the addition motif. We also present a detailed theoretical rationalization of the previously observed skeletal rearrangement in the D2-C76 that affords the non-IPR 18917C76Cl24 compound.

Graphical abstract: C76 fullerene chlorides and cage transformations. Structural and theoretical study

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Article information

DOI
https://doi.org/10.1039/C1DT10256G
Article type
Paper
Submitted
15 Feb 2011
Accepted
15 Aug 2011
First published
15 Sep 2011

Dalton Trans., 2011,40, 11005-11011

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C76 fullerene chlorides and cage transformations. Structural and theoretical study

I. N. Ioffe, O. N. Mazaleva, C. Chen, S. Yang, E. Kemnitz and S. I. Troyanov, Dalton Trans., 2011, 40, 11005 DOI: 10.1039/C1DT10256G

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