Stabilization of Atomic Nitrogen Inside C60

Angewandte Chemie (International Edition in English)

Volumn 36, Issue 24, 1997, Pages 2835-2838

  Mauser, Harald ^a   Van Eikema Hommes, Nicolaas J R ^a   Clark, Timothy ^a   Hirsch, Andreas ^a   Pietzak, Björn ^b   Weidinger, Alois ^b   Dunsch, Lothar ^c  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b HAHN MEITNER INSTITUT   (Germany)

^c IFW DRESDEN   (Germany)

Author keywords

Density functional calculations; EPR spectroscopy; Fullerenes; Semiempirical calculations

Indexed keywords

EID: 0042398477     PISSN: 05700833     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.199728351     Document Type: Article

References (24)

1. a) D. S. Bethune, R. D. Johnson. J. R. Salem, M. S. de Vries, C. S. Yannoni, Nature 1993, 366, 123;
2. b) F.T. Edelmann, Angew. Chem. 1995, 107, 1071; Angew. Chem. Int. Ed. Engl. 1995, 34, 981.
3. b) F.T. Edelmann, Angew. Chem. 1995, 107, 1071; Angew. Chem. Int. Ed. Engl. 1995, 34, 981.
4. R. Tellgmann, N. Krawez, S.-H. Lin, I. V. Hertel, E. E. B. Campbell, Nature 1996, 382, 407.
5. a) T. Weiske, D. K. Böhme, J. Hrusak, W. Krätschmer, H. Schwarz, Angew. Chem. 1991, 103, 898; Angew. Chem. Int. Ed. Engl. 1991, 30, 884;
6. a) T. Weiske, D. K. Böhme, J. Hrusak, W. Krätschmer, H. Schwarz, Angew. Chem. 1991, 103, 898; Angew. Chem. Int. Ed. Engl. 1991, 30, 884;
7. b) T. Weiske, J. Hrusak, D. K. Böhme, H. Schwarz, Chem. Phys. Lett. 1991, 186, 459;
8. c) T. Weiske, D. K. Böhme, H. Schwarz, J. Phys. Chem. 1991, 95, 8451;
9. d) T. Weiske, T. Wong, W. Krätschmer, J. K. Terlouv, H. Schwarz, Angew. Chem. 1992, 104, 242; Angew. Chem. Int. Ed. Engl. 1992, 31, 183;
10. d) T. Weiske, T. Wong, W. Krätschmer, J. K. Terlouv, H. Schwarz, Angew. Chem. 1992, 104, 242; Angew. Chem. Int. Ed. Engl. 1992, 31, 183;
11. e) T. Weiske, H. Schwarz, A. Hirsch, T. Grösser, Chem. Phys. Lett. 1991, 95, 5720.
12. M. Saunders, R. J. Jiménez-Vázquez, R. Shimshi, A. Khong, Science 1996, 271, 1693.
13. a) T. Almeida Murphy, T. Pawlik, A. Weidinger, M. Höhne, R. Alcala, J.-M. Spaeth, Phys. Rev. Lett. 1996, 77, 1075;
14. b) C. Knapp. K.-P. Dinse, B. Pietzak, M. Waiblinger, A. Weidinger, Chem. Phys. Lett. 1997, 272, 433-437.
15. a) J. J. Stewart, J. Comput. Chem. 1989, 10, 209, 221.
16. 60 itself), the energetic and geometric effects of spin contamination are small because of the very high multiplicities of the principal spin contaminants;
17. c) B3LYP: P. J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch, J. Phys. Chem. 1994, 98, 11 623.
18. a) G. Rauhut, A. Alex, J. Chandrasekhar, T. Steinke, W. Sauer, B. Beck, M. Hutter, P. Gedeck, T. Clark, VAMP 6.1. Oxford Molecular, Madawar Centre, Oxford Science Park. Standford-on-Thames, Oxford OX44GA, UK, 1996;
19. b) M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomberts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzales, J. A. Pople, Gaussian 94. Revision D.3, Gaussian, Pittsburgh (PA), USA, 1995.
20. A. F. Hollemann, E. Wiberg, Lehrbuch der Anorganischen Chemie, 81st-90th ed., Walter de Gruyter, Berlin, 1976, p. 106.
21. R. C. Haddon, Acc. Chem. Res. 1992, 25, 127.
22. A. Hirsch, The Chemistry of the Fullerenes, Thieme, Stuttgart, 1994.
23. R. C. Haddon, Science 1993, 261, 1545.
24. S. Patchkovskii. W. Thiel, J. Am. Chem. Soc. 1996, 118, 7164.