Electronic Structure of C60-x-yBxNy and Deformed C60 Fullerenes: Comparison of Infrared Absorption, Raman Scattering and Electron-Spin Resonance Measurements with Numerical Calculations

Zeitschrift fur Physikalische Chemie

Volumn 200, Issue PART_1_2, 1997, Pages 147-155

  Piechota, J ^a   Byszewski, P ^a,b  

^a INSTITUTE OF PHYSICS   (Poland)

^b INSTITUTE OF VACUUM TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

DEFORMATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ELECTROSPINNING; FULLERENES; LIGHT ABSORPTION; MAGNETIC MOMENTS; MOLECULES; SPIN DYNAMICS;

C60 FULLERENES; ELECTRON SPIN RESONANCE MEASUREMENTS; ELECTRONIC STRUCTURE CALCULATIONS; FIRST PRINCIPLES; HOMO AND LUMO; NUMBER OF ELECTRONS; NUMERICAL CALCULATION; SEMI-EMPIRICAL;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

EID: 0040335049     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.1997.200.Part_1_2.147     Document Type: Article

References (32)

1. A. F. Hebard, M. J. Rosseinsky, R. C. Haddon, D. W. Murphy, S. H. Glarum, T. T. M. Palstra, A. R. Ramirez and A. R. Kortan, Nature 350 (1991) 600.
2. J. R. Heath, S. C. O'Brien, Q. Zhang, Y. Liu, R. F. Curl, H. W. Kroto, F. K. Tittel and R. E. Smalley, J. Am. Chem. Soc. 107 (1985) 7779.
3. H. B. Gray, Electrons and Chemical Bonding, ed. W. A. Benjamin, Inc. New York, Amsterdam.
4. T. Guo, C. Jin and R. E. Smalley, J. Phys. Chem. 95 (1991) 4948.
5. T. Pradeep, V. Vijayakrishnan, A. K. Santra and C. N. R. Rao, J. Phys. Chem. 95 (1991) 10564.
6. C. S. Yanoni, P. P. Bernier, D. S. Bethune, G. Meijer and J. Salem, J. Am. Chem. Soc. 113 (1991) 3190.
7. J. Piechota, P. Byszewski, R. Jablonski and K. Antonova, Fullerene Sci. Technol. 4 (1996) 491.
8. S. Osawa and E. Osawa, Fullerene Sci. Technol. 4 (1996) 329.
9. D. Bakowies and W. Thiel, J. Am. Chem. Soc. 113 (1991) 3704.
10. J. Andzelm, in Density Functional Methods in Chemistry; eds. J. Labanowski and J. Andzelm, Springer, New York 1991, p. 155.
11. J. Andzelm and E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
12. J. Piechota and M. Suffczynski, Int. J. Mod. Phys. B 7 (1993) 560.
13. J. Piechota and M. Suffczynski, Phys. Rev. A 48 (1993) 2679.
14. M. J. S. Dewar, E. G. Zoebisch, E. F. Healey and J. J. P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.
15. R. Hoffman, J. Chem. Phys. 39 (1963) 1397.
16. P. C. Eklund, Zhou Ping, K.-A. Wang, G. Dresseihaus and M. S. Dresselhaus, J. Phys. Chem. Solids 53 (1992) 1391.
17. S. J. Duclos, R. C. Haddon, S. Glarum, A. F. Hebard and K. B. Lyons, Science 254 (1991) 1625.
18. T. Pichier, M. Matus, J. Kurti and H. Kuzmany, Phys. Rev. B 45 (1992) 13841.
19. G. B. Adams, J. B. Page, O. F. Sankey, K. Sinha, J. Menendez and D. R. Huffman, Phys. Rev. B 44 (1991) 4052.
20. M. C. Martin, X. Du, J. Kwon and L. Mihaly, Phys. Rev. B 50 (1994) 173.
21. P. Byszewski, R. Jablonski and R. Diduszko, Solid State Commun. 83 (1992) 879.
22. P. Byszewski, R. Jablonski and S. Kolesnik, Solid State Commun. 84 (1992) 1111.
23. J. Stankowski, P. Byszewski, W. Kempinski, Z. Trybuia and T. Zuk, Phys. Status Solidi (b) 178 (1993) 221.
24. D. Bethume, G. Meijer, W. C. Tang, H. J. Rosen, W. G. Golden, H. Seki, C. A. Brown, M. S. de Vries, Chem. Phys. Lett. 179 (1991) 181;
25. V. N. Denisov, A. A. Zakhidov, G. Ruani, R. Zamboni, C. Taliani, K. Tanaka, K. Yoshizawa, T. Okahara, T. Yamabe and Y. Achiba, Synthetic Metals, Proceedings of ICSM '92.
26. S. Leach, M. Vervloet, A. Despres, E. Breheret, J. P. Hare, T. J. Dennis, H. W. Kroto, R. Taylor and D. R. M. Walton, Chem. Phys. 160 (1992) 451.
27. D. L. Lichtenberger, K. W. Nebesny, C. D. Ray, D. R. Hoffman and L. D. Lamb, Chem. Phys. Lett. 176 (1991) 203.
28. F. Negri, G. Orlandi and F. Zerbetto, Chem. Phys. Lett. 144 (1988) 31.
29. B. P. Feuston, W. Andreoni, M. Parinello and E. Clementi, Phys. Rev. B 44 (1991) 4056.
30. P. W. Fowler, J. Phys. Chem. Solids 54 (1993) 1852.
31. J. Stankowski, J. Martinek, A. Koper and W. Kempinski, Mol. Phys. Reports 5 (1994) 33.
32. R. J. Terento et al, J. Phys. Chem. Solids 54 (1993) 1491.