Chlorination of C86to C84Cl32with nonclassical heptagon-containing fullerene cage formed by cage shrinkage

Angewandte Chemie - International Edition

Volumn 49, Issue 28, 2010, Pages 4784-4787

  Ioffe, Ilya N ^a   Chen, Chuanbao ^b   Yang, Shangfeng ^b   Sidorov, Lev N ^a   Kemnitz, Erhard ^c   Troyanov, Sergey I ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^c HUMBOLDT UNIVERSITY   (Germany)

Author keywords

C86 isomers; Cage shrinkage; Chlorinated fullerenes; Structure elucidation

Indexed keywords

C86 ISOMERS; CHEMICAL EQUATIONS; CHLORINATED FULLERENE; FULLERENE CAGES; HEPTAGON-CONTAINING; STRUCTURE ELUCIDATION; THEORETICAL CALCULATIONS;

CAGES (MINE HOISTS); CHLORINATION; ISOMERS; SHRINKAGE;

FULLERENES;

EID: 77953987340     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201001082     Document Type: Article

References (26)

1. R. L. Murry, D. L. Strout, G. K. Odom, G. E. Scuseria, Nature 1993, 366, 665.
2. E. Osawa, H. Ueno, Z. Slanina, X. Zhao, M. Nishiyama, H. Saito, J. Chem. Soc. Perkin Trans. 2 1998, 943.
3. R. J. Cross, M. Saunders, J. Am. Chem. Soc 2005, 127, 3044.
4. W. Qian, S.-C. Chuang, R. B. Amador, T. Jarrosson, M. Sander, S. Pieniazek, S. I. Khan, Y. Rubin, J. Am. Chem. Soc. 2003, 125, 2066.
5. P. A. Troshin, A. G. Avent, A. D. Darwish, N. Martsinovich, A. K. Abdul-Sada, J. M. Street, R. Taylor, Science 2005, 309, 278.
6. I. N. Ioffe, A. A. Goryunkov, N. B. Tamm, L. N. Sidorov, E. Kemnitz, S. I. Troyanov, Angew. Chem. 2009, 121, 6018;
7. Angew. Chem. Int. Ed. 2009, 48, 5904.
8. a) D.-L. Chen, W. Q. Tian J.-K. Feng, C.-C. Sun, ChemPhysChem 2007, 8, 1029;
9. b) A. Ayuela, P. W. Fowler, D. Mitchell, R. Schmidt, G Seifert, F. Zerbetto, J. Phys. Chem. 1996, 100, 15634;
10. c) E. Hernández, P. Ordejón, H. Terrones, Phys. Rev. B 2001, 63, 193403.
11. K. Jinno, H. Matsui, H. Ohta, Y. Saito, K. Nakagawa, H. Nagashima, K. Itoh, Chromatographia 1995, 41, 353.
12. 2 molecules of solvation are strongly disordered over several positions. CCDC 764243 and 764244 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac. uk/data-request/cif.
13. Y. Miyake, T. Minami, K. Kikuchi, M. Kainosho, Y. Achiba, Mol. Cryst. Liq. Cryst. 2000, 340, 553.
14. G. Sun, M. Kertesz, Chem. Phys. 2002, 276, 107.
15. S. I. Troyanov, N. B. Tamm, Crystallogr. Rep. 2009, 54, 598.
16. a) S. I. Troyanov, N. B. Shustova, A. A. Popov, L. N. Sidorov, E. Kemnitz, Angew. Chem 2005, 117, 436;
17. Angew. Chem. Int. Ed. 2005, 44, 432;
18. b) P. A. Troshin, R. N. Lubovskaya, I. N. Ioffe, N. B. Shustova, E. Kemnitz, S. I. Troyanov, Angew. Chem. 2005, 117, 238;
19. Angew. Chem. Int. Ed. 2005, 44, 234;
20. c) S. I. Troyanov, N. B. Shustova, I. N. Ioffe, A. P. Turnbull, E. Kemnitz, Chem. Commun. 2005, 72;
21. d) S. I. Troyanov, N. B. Tamm, C. Chen, S. Yang, E. Kemnitz, Z. Anorg. Allg. Chem. 2009, 635, 1783;
22. e) E. Kemnitz, S. I. Troyanov, Angew. Chem. 2009, 121, 2622;
23. Angew. Chem. Int. Ed. 2009, 48, 2584.
24. DFT calculations were carried out with the PRIRODA code (D. N. Laikov, Chem. Phys. Lett. 1997, 281, 151). See Supporting Information for more details.
25. A. D. Boese, G. E. Scuseria, Chem. Phys. Lett. 1998, 294, 233.
26. D. L. Hildenbrand, K. H. Lau, J. Perez-Mariano, A. Sanjurjo, J. Phys. Chem. A 2008, 112, 9978.