The 13C NMR properties of low hydroxylated fullerenes with density functional theory

Chemical Physics Letters

Volumn 467, Issue 4-6, 2009, Pages 339-343

  Fileti, Eudes E ^a   Rivelino, Roberto ^b  

^a Universidade Federal   (Brazil)

^b FEDERAL UNIVERSITY OF BAHIA   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC HYDROCARBONS; CHEMICAL PROPERTIES; FULLERENES; HYDROXYLATION; NUCLEAR MAGNETIC RESONANCE; SPIN DYNAMICS;

CARBON CAGES; FULLERENE SURFACES; FULLERENOLS; HYDROXYL GROUPS; HYDROXYLATED FULLERENES; HYPERFINE COUPLING CONSTANTS; MAGNETIC EFFECTS; ODD NUMBERS; SPIN DENSITIES; UNPAIRED SPINS;

DENSITY FUNCTIONAL THEORY;

EID: 57749119211     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.11.035     Document Type: Article

References (27)

1. Bühl M., Curioni A., and Andreoni W. Chem. Phys. Lett. 274 (1997) 231
2. Birkett P.R., Bühl M., Khong A., Saunders M., and Taylor R. J. Chem. Soc. Perkin Trans. 2 (1998) 2037
3. Sternfeld T., Wudl F., Hummelen K., Weitz A., Haddon R.C., and Rabinovitz M. Chem. Commun. (1999) 2411
4. Sun G., and Kertesz M. J. Phys. Chem. A 104 (2000) 7398
5. Chen Z., and Thiel W. Chem. Phys. Lett. 367 (2003) 15
6. Sun G. Chem. Phys. Lett. 367 (2003) 26
7. Lu X., et al. J. Am. Chem. Soc. 130 (2008) 9129
8. Kleinpeter E., Klod S., and Koch A. J. Org. Chem. 73 (2008) 1498
9. Fortner J.D., et al. Environ. Sci. Technol. 41 (2007) 7497
10. Krusic P.J., Wasserman E., Keizer P.N., Morton J.R., and Preston K.F. Science 254 (1991) 1183
11. Arrais A., and Diana E. Fuller. Nanotub. Carbon Nanostruct. 11 (2003) 35
12. Kokubo K., Matsubayashi K., Tategaki H., Takada H., and Oshima T. ACS Nano 2 (2008) 327
13. Yang S.T., Wang H., Guo L., Gao Y., Liu Y., and Cao A. Nanotechnology 19 (2008) 395101
14. Helgaker T., Watson M., and Handy N.C. J. Chem. Phys. 113 (2000) 9402
15. Hrobárik P., Reviakine R., Arbuznikov A.V., Malkina O.L., and Malkin V.G. J. Chem. Phys. 126 (2007) 024107
16. Pennanen T.O., and Vaara J. Phys. Rev. Lett. 100 (2008) 133002
17. Koch K., and Holthausen M.C. A Chemists Guide to Density Functional Theory (2001), Wiley VCH, Weinheim
18. Wolinski K., Hilton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251
19. M.J. Frisch et al., Gaussian 98; Revisions A.7 and A.11.4, Inc., Pittsburgh, PA, 1998.
20. Bühl M. Chem. Phys. Lett. 267 (1997) 251
21. Pople J.A., Schneider W.G., and Bernstein H.J. High-resolution Nuclear Magnetic Resonance (1959), McGraw-Hill, New York
22. Fileti E.E., Georg H.C., Canuto S., and Braz J. Chem. Soc. 18 (2007) 74
23. Walker O., Mutzenhardt P., Tekely P., and Canet D. J. Am. Chem. Soc. 124 (2002) 865
24. Czernek J. J. Phys. Chem. A 105 (2001) 1357
25. Haddon R.C. Science 261 (1993) 1545
26. Fileti E.E., Rivelino R., Mota F.B., and Malaspina T. Nanotechnology 19 (2008) 365703
27. Zhang Y., Sun H., and Oldfield E. J. Am. Chem. Soc. 127 (2005) 3652