Recent advances in the structural determination of endohedral metallofullerenes

Journal of Computational Chemistry

Volumn 19, Issue 2, 1998, Pages 232-239

  Nagase, Shigeru ^a   Kobayashi, Kaoru ^a   Akasaka, Takeshi ^b  

^a TOKYO METROPOLITAN UNIVERSITY   (Japan)

^b NIIGATA UNIVERSITY   (Japan)

Author keywords

Cage structures and symmetry; Endohedral metallofullerenes; Metal positions and motion

Indexed keywords

EID: 0000980175     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19980130)19:2<232::AID-JCC16>3.0.CO;2-J     Document Type: Article

References (43)

1. Y. Chai, T. Guo, C. Jin, R. E. Haufler, L. P. F. Chibante, J. Fure, L. Wang, J. M. Alford, and R. E. Smalley, J. Phys. Chem., 95, 7564 (1991).
2. D. S. Bethune, R. D. Johnson, J. R. Salem, M. S. de Vries, and C. S. Yannoni, Nature, 366, 123 (1993).
3. R. H. Michel, D. Fuchs, R. D. Beck, and M. M. Kappes, In Physics and Chemistry of Fullerenes and Derivatives, H. Kuzmany, J. Fink, M. Mehring, and S. Roth, Eds., World Scientific, Singapore, 1995, p. 89.
4. S. Nagase, K. Kobayashi, and T. Akasaka, Bull. Chem. Soc. Jpn., 69, 2131 (1996).
5. S. Nagase, K. Kobayashi, and T. Akasaka, J. Mol. Struct. (Theochem), 398, 221 (1997).
6. (a) M. Takata, B. Umeda, E. Nishibori, M. Sakata, Y. Saito, M. Ohno, and H. Shinohara, Nature, 377, 46 (1995);
7. (b) M. Takata, private communication.
8. (a) P. J. Hay and W. R. Wadt, J. Chem. Phys., 82, 299 (1985);
9. (b) T. R. Kundari and W. J. Stevens, J. Chem. Phys., 98, 5555 (1993).
10. (a) A. D. Becke, J. Chem. Phys., 98, 5648 (1993);
11. (b) A. D. Becke, Phys. Rev. A, 38, 3098 (1988);
12. (c) J. P. Perdew, Phys. Rev. B, 33, 8822 (1986);
13. (d) C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988).
14. P. W. Fowler and D. E. Manolopoulos, An Atlas of Fullerenes, Oxford University Press, Oxford, 1995.
15. K. Kikuchi, H. Nakahara, T. Wakabayashi, S. Suzuki, H. Shiromaru, Y. Miyake, K. Saito, I. Ikemoto, M. Kainosho, and Y. Achiba, Nature, 357, 142 (1992).
16. S. Nagase and K. Kobayashi, Chem. Phys. Lett., 231, 319 (1994).
17. T. Akasaka, S. Nagase, K. Kobayashi, T. Suzuki, T. Kato, K. Kikuchi, Y. Achiba, K. Yamamoto, H. Funasaka, and T. Takahashi, Angew. Chem. Int. Ed. Engl., 34, 2139 (1995).
18. K. Kobayashi, S. Nagase, and T. Akasaka, Chem. Phys. Lett., 261, 502 (1996).
19. E. Yamamoto, M. Tansho, T. Tomiyama, H. Shinohara, H. Kawahara, and Y. Kobayashi, J. Am. Chem. Soc., 118, 2293 (1996).
20. Y. Miyake, S. Suzuki, Y. Kojima, K. Kikuchi, K. Kobayashi, S. Nagase, M. Kainosho, Y. Achiba, Y. Maniwa, and K. Fisher, J. Phys. Chem., 100, 9579 (1996).
21. (a) L. B. Knight, A. J. Mckinley, R. M. Babb, D. W. Hill, and M. D. Morse, J. Chem. Phys., 99, 7376 (1993);
22. (b) H. Åkeby, L. G. M. Pettersson, and P. E. M. Siegbahn, J. Chem. Phys., 97, 1850 (1992);
23. (c) I. Pápai and M. Castro, Chem. Phys. Lett., 267, 551 (1997).
24. M. Takata, E. Nishibori, B. Umeda, M. Sakata, E. Yamamoto, and H. Shinohara, Phys. Rev. Lett., 78, 3330 (1997).
25. S. Nagase and K. Kobayashi, Chem. Phys. Lett., 276, 55 (1997).
26. H. Shiniohara, private communication.
27. K. Kobayashi, S. Nagase, and T. Akasaka, Chem. Phys. Lett., 245, 230 (1995).
28. F. H. Hennrich, R. H. Michel, A. Fischer, S. Richrad-Schneider, S. Gilb, M. M. Kappes, D. Fuchs, M. Bürk, K. Kobayashi, and S. Nagase, Angew. Chem. Int. Ed. Engl., 35, 1732 (1996).
29. T. Akasaka, S. Nagase, K. Kobayashi, M. Wälchli, K. Yamamoto, H. Funasaka, M. Kako, T. Hoshino, and T. Erata, Angew. Chem. Int. Ed. Engl., 36, 1643 (1997).
30. For example, see: R. G. Kidd, In NMR of Newly Accessible Nuclei, Vol. 1, P. Laszlo, Ed., Academic Press, New York, 1983, p. 103.
31. K. Kobayashi and S. Nagase, Chem. Phys. Lett., 262, 227 (1996).
32. (a) Z. Xu, T. Nakane, and H. Shinohara, J. Am. Chem. Soc., 118, 11310 (1996);
33. (b) H. Shinohara, private communication.
34. K. Kobayashi and S. Nagase, Chem. Phys. Lett., 274, 226 (1997).
35. S. Nagase, K. Kobayashi, T. Kato, and Y. Achiba, Chem. Phys. Lett., 201, 475 (1993).
36. Y. Achiba, K. Kikuchi, Y. Aihara, T. Wakabayashi, Y. Miyake, and M. Kainosho, Mater. Res. Soc. Symp. Proc., 359, 3 (1995).
37. Z. Slanina, S.-L. Lee, K. Kobayashi, and S. Nagase, J. Mol. Struct. (Theochem), 339, 89 (1995).
38. U. Kirbach and L. Dunsch, Angew. Chem. Int. Ed. Engl., 35, 2380 (1997).
39. K. Kobayashi and S. Nagase, Chem. Phys. Lett., submitted for publication.
40. (a) S. Nagase and K. Kobayashi, Chem. Phys. Lett., 214, 57 (1993);
41. (b) S. Nagase and K. Kobayashi, J. Chem. Soc. Chem. Commun., 1837 (1994).
42. (a) C.-H. Park, B. O. Wells, J. Dicarlo, Z.-X. Shen, J. R. Salem, D. S. Bethune, C. S. Yannoni, R. D. Johnson, M. S. de Vries, C. Booth, F. Bridges, and P. Pianetta, Chem. Phys. Lett., 213, 196 (1993);
43. (b) M. Nomura, Y. Nakano, K. Kikuchi, and Y. Achiba, Physica B, 208/209, 539 (1995).