The structures of trimetallic nitride fullerenes M 3N@C 88: Theoretical evidence of corporation between electron transfer interaction and size effect

Chemical Physics Letters

Volumn 521, Issue , 2012, Pages 81-85

  Xu, Li ^a,b   Li, Shu Fei ^a,b   Gan, Li Hua ^a,b   Shu, Chun Ying ^a,b   Wang, Chun Ru ^a,b  

^a SOUTHWEST UNIVERSITY   (China)

^b INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DFT CALCULATION; ELECTRON TRANSFER; EXPERIMENTAL OBSERVATION; SIZE EFFECTS; TRIMETALLIC NITRIDES;

DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; GADOLINIUM; NITRIDES;

LANTHANUM;

EID: 84855189289     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.11.011     Document Type: Article

References (42)

1. S. Stevenson Nature 401 1999 55
2. S. Stevenson, P.W. Fowler, T. Heine, J.C. Duchamp, G. Rice, T. Glass, K. Harich, E. Hajdull, R. Biblell, and H.C. Dorn Nature 408 2000 427
3. M.M. Olmstead, A. de Bettencourt-Dias, J.C. Duchamp, S. Stevenson, D. Marciu, H.C. Dorn, and A.L. Balch Angew. Chem. Int. Edit. 40 2001 1223
4. S.F. Yang, A.A. Popov, and L. Dunsch Angew. Chem. Int. Edit. 46 2007 1256
5. L. Dunsch, M. Krause, J. Noack, and P. Georgi J. Phys. Chem. Solids 65 2004 309
6. W.J. Fu J. Am. Chem. Soc. 131 2009 11762
7. M.N. Chaur, F. Melin, J. Ashby, B. Elliott, A. Kumbhar, A.M. Rao, and L. Echegoyen Chem. Eur. J. 14 2008 8213
8. F. Melin, M.N. Chaur, S. Engmann, B. Elliott, A. Kumbhar, A.J. Athans, and L. Echegoyen Angew. Chem. Int. Edit. 46 2007 9032
9. M.N. Chaur, F. Melin, B. Elliott, A. Kumbhar, A.J. Athans, and L. Echegoyen Chem. Eur. J. 14 2008 4594
10. S. Stevenson, J.P. Phillips, J.E. Reid, M.M. Olmstead, S.P. Rath, and A.L. Balch Chem. Commun. 2004 2814
11. M. Krause, and L. Dunsch Angew. Chem. Int. Edit. 44 2005 1557
12. M.N. Chaur, F. Melin, B. Elliott, A.J. Athans, K. Walker, B.C. Holloway, and L. Echegoyen J. Am. Chem. Soc. 129 2007 14826
13. B.Q. Mercado J. Am. Chem. Soc. 130 2008 7854
14. T.M. Zuo Chem. Commun. 2008 1067
15. C.M. Beavers, M.N. Chaur, M.M. Olmstead, L. Echegoyen, and A.L. Balch J. Am. Chem. Soc. 131 2009 11519
16. M. Wolf, K.-H. Müller, Y. Skourski, D. Eckert, P. Georgi, M. Krause, and L. Dunsch Angew. Chem. Int. Edit. 44 2005 3306
17. C.M. Beavers, T.M. Zuo, J.C. Duchamp, K. Harich, H.C. Dorn, M.M. Olmstead, and A.L. Balch J. Am. Chem. Soc. 128 2006 11352
18. T.M. Zuo, C.M. Beavers, J.C. Duchamp, A. Campbell, H.C. Dorn, M.M. Olmstead, and A.L. Balch J. Am. Chem. Soc. 129 2007 2035
19. S.F. Yang, and L. Dunsch J. Phys. Chem. B 109 2005 12320
20. S.F. Yang, and L. Dunsch Chem. Eur. J. 12 2006 413
21. M. Krause, J. Wong, and L. Dunsch Chem. Eur. J. 11 2005 706
22. S. Stevenson, H.M. Lee, M.M. Olmstead, C. Kozikowski, P. Stevenson, and A.L. Balch Chem. Eur. J. 8 2002 4528
23. W. Xu, T.S. Wang, J.Y. Wu, Y.H. Ma, J. Zheng, H. Li, B. Wang, L. Jiang, C.-Y. Shu, and C.-R. Wang J. Phys. Chem. C 115 2011 402
24. A.A. Popov, M. Krause, S.F. Yang, J. Wong, and L. Dunsch J. Phys. Chem. B 111 2007 3363
25. L. Dunsch, and S.F. Yang Small 3 2007 1298
26. K. Kobayashi, and S. Nagase Chem. Phys. Lett. 282 1998 325
27. J.M. Campanera, C. Bo, and J.M. Poblet Angew. Chem. Int. Edit. 44 2005 7230
28. R. Valencia, A. Rodríguez-Fortea, J. M. Poblet, Chem. Commun. (2007) 4161.
29. A.A. Popov, and L. Dunsch J. Am. Chem. Soc. 129 2007 11835
30. L.H. Gan Chem. Phys. Lett. 429 2006 185
31. L.H. Gan, and R. Yuan ChemPhysChem 7 2006 1306
32. A.A. Popov J. Comput. Nanosci. 6 2009 292
33. M.N. Chaur, R.Valencia, A. Rodríguez-Fortea, J.M. Poblet, and L. Echegoyen Angew. Chem. Int. Edit. 48 2009 1425
34. < http://www.mathematik.uni-bielefeld.de/≃CaGe/ >.
35. P.W. Fowler, and D.E. Manolopoulos An Atlas of Fullerenes 1995 Clarendon Press Oxford, UK
36. M.J. Frisch et al., GAUSSIAN03, Revision B.03, Gaussian Inc.: Pittsburgh, PA, 2003.
37. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
38. A.D. Becke J. Chem. Phys. 88 1988 2547
39. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
40. D.D. Koelling, and B.N. Harmon J. Phys. C: Solid State Phys. 10 1977 3107
41. M. Douglas, and N.M. Kroll Acta Physica 82 1974 89
42. R. Valencia, A. Rodríguez-Fortea, A. Clotet, C. de Graaf, M.N. Chaur, L. Echegoyen, and J.M. Poblet Chem. Eur. J. 15 2009 10997