The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C 66: Quantum-chemical calculations

Russian Journal of Physical Chemistry A

Volumn 82, Issue 7, 2008, Pages 1164-1169

  Khamatgalimov, A R ^a   Kovalenko, V I ^a  

^a A E ARBUZOV INSTITUTE OF ORGANIC AND PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

FULLERENES; PHOTORESISTS; QUANTUM CHEMISTRY;

ISOMERS;

EID: 46649106309     PISSN: 00360244     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0036024408070194     Document Type: Article

References (27)

1. K. Kobayashi and S. Nagase, Chem. Phys. Lett. 302, 312 (1999).
2. K. Kobayashi, S. Nagase, M. Yoshida, and E. Osawa, J. Am. Chem. Soc. 119, 12693 (1997).
3. Z. Slanina, K. Kobayashi, and S. Nagase, Chem. Phys. Lett. 372, 810 (2003).
4. S. Nagase, K. Kobayashi, and T. Akasaka, J. Mol. Struct. (Theochem.) 461-462, 97 (1999).
5. Z. Slanina, X. Zhao, X. Grabuleda, et al., J. Mol. Graphics Model. 19, 252 (2001).
6. Z. Slanina, F. Uhlik, L. Adamowicz, et al., Int. J. Quantum Chem. 100, 610 (2004).
7. Z. Slanina, K. Ishimura, K. Kobayashi, and S. Nagase, Chem. Phys. Lett. 384, 114 (2004).
8. S. S. Park, D. Liu, and F. Hagelberg, J. Phys. Chem. A 109(39), 8865 (2005).
9. W. Qian, M. D. Bartberger, S. J. Pastor, et al., J. Am. Chem. Soc. 122, 8333 (2000).
10. M. M. Olmstead, H. M. Lee, J. C. Duchamp, et al., Angew. Chem., Int. Ed. Engl. 42(8), 900 (2003).
11. C. R. Wang, T. Kai, T. Tomiyama, et al., Nature (London) 408, 426 (2000).
12. M. Takata, E. Nishibori, M. Sakata, et al., Chem. Phys. Lett. 372, 512 (2003).
13. K. Kobayashi and S. Nagase, Chem. Phys. Lett. 362, 373 (2002).
14. J. Shulte, M. C. Bohm, and K.-P. Dinse, J. Mol. Struct. (Theochem) 427, 279 (1998).
15. N. C. Baird and R. M. West, J. Am. Chem. Soc. 93, 3072 (1971).
16. R. Bloch, R. A. Marty, and P. de Mayo, J. Am. Chem. Soc. 93, 3071 (1971).
17. B. Gabor, K. Jonas, and R. Mynott, Inorg. Chim. Acta 270, 555 (1998).
18. R. W. A. Havenith, L. W. Jenneskens, P. W. Fowler, and E. Steiner, Phys. Chem. Chem. Phys. 6, 2033 (2004).
19. G. Li, H. Fang, and Z. Xi, Tetrahedron Lett. 44, 8705 (2003).
20. A. R. Khamatgalimov and V. I. Kovalenko, Ross. Khim. Zh. 48(5), 28 (2004).
21. H. Butenschon, Angew. Chem., Int. Ed. Engl. 36, 1695 (1997).
22. V. I. Kovalenko and M. V. Semyashova, Abstracts of Papers, 4th Workshop "Fullerenes and Atomic Clusters" (IWFAC'99) (St. Petersburg, 1999), p. 234.
23. V. I. Kovalenko and A. R. Khamatgalimov, Chem. Phys. Lett. 377(3-4), 263 (2003).
24. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 03, Revision A.1 (Gaussian Inc., Pittsburgh, PA, 2003).
25. V. I. Kovalenko, A. R. Khamatgalimov, and M. V. Semyashova, Abstracts of Papers, 5th Workshop "Fullerenes and Atomic Clusters" (IWFAC'2001) (St. Petersburg, 2001), p. 133.
26. V. I. Kovalenko and A. R. Khamatgalimov, Abstracts of Papers, 7th Workshop "Fullerenes and Atomic Clusters" (IWFAC'2005) (St. Petersburg, 2005), p. 287.
27. A. R. Khamatgalimov and V. I. Kovalenko, Abstracts of Papers, IX International Conference "Hydrogen Materials Science and Chemistry of Carbon Nanomaterials" (ICHMS'2005) (Sevastopol, Crimea, Ukraine, 2005), p. 786.