First principle calculation on the electronic structure of the copper (II)-azido compound [{Cu(L)(N3)2}n] (L=benzylamine)

Journal of Magnetism and Magnetic Materials

Volumn 288, Issue , 2005, Pages 331-338

  Zhang, Y S ^a   Yao, K L ^a,b   Liu, Z L ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Cu(L)(N3)2 n ; Azido group; Ferromagnetic

Indexed keywords

COPPER COMPOUNDS; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; FERROMAGNETISM; FREE RADICALS; GROUND STATE; NITROGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

[{CU(L)(N3)2}N]; AZIDO GROUP; FERROMAGNETIC; MAGNETIC CENTERS;

AMINES;

EID: 13544261398     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2004.09.115     Document Type: Article

References (32)

1. D. Luneau Curr. Opin. Solid State Mater. Sci. 5 2001 123
2. Y. Nakazawa, M. Tamura, N. Shirakawa, D. Shiomi, M. Takahashi, M. Kinoshita, and M. Ishikawa Phys. Rev. B 46 1992 8906
3. R. Chiarelli, M.A. Novak, A. Rassat, and J.L. Tholence Nature 363 1993 147
4. T. Nogami, K. Tomioka, T. Ishida, H. Yoshikawa, M. Yasui, F. Iwasaki, H. Iwamura, N. Takeda, M. Ishikawa, Chem. Lett. (1994) 29.
5. J.S. Miller, A.J. Epstein, and W.M. Reiff Science 240 1988 40 and references cited therein
6. J.S. Miller, and A.J. Epstein Angew. Chem. Int. Ed. Engl. 33 1994 385 and references cited therein
7. A.J. Epstein, and J.S. Miller Synth. Metal 80 1996 231
8. Z. Fang, Z.L. Liu, K.L. Yao, and Z.G. Li Phys. Rev. B 51 1995 1304
9. W.Z. Wang, Z.L. Liu, and K.L. Yao Phys. Rev. B 55 1997 12989
10. O. Kahn, S. Sikorav, J. Gouteron, S. Jeannin, and Y. Jeannin Inorg. Chem. 22 1983 2877
11. S. Sikorav, I. Bkouche-Waksman, and O. Kahn Inorg. Chem. 23 1984 490
12. S.S. Tandon, L.K. Thompson, M.E. Manuel, and J.N. Bridson Inorg. Chem. 33 1994 5555
13. J. Ribas, M. Monfort, B.K. Ghosh, R. Cortés, X. Solans, and M. Font-Bardía Inorg. Chem. 35 1996 864
14. A. Escuer, R. Vicente, M.A.S. Goher, and F.A. Mautner Inorg. Chem. 36 1997 3440
15. A. Escuer, R. Vicente, F.A. Mautner, and M.A.S. Goher Inorg. Chem. 36 1997 1233
16. A. Escuer, R. Vicente, J. Ribas, M.E. Fallah, X. Solans, and M. Font-Bardía Inorg. Chem. 32 1993 3727
17. R. Cortés, M. Drillon, X. Solans, L. Lezama, and T. Rojo Inorg. Chem. 36 1997 677
18. S. Dalai, P.S. Mukherjee, T. Mallah, M.G.B. Drew, and N.R. Chaudhuri Inorg. Chem. Commun. 5 2002 472
19. T.K. Maji, P.S. Mukherjee, G. Mostafa, T. Mallah, J. C-Boquera, N.R. Chaudhuri, Chem. Commun. (2001) 1012.
20. P.S. Mukherjee, S. Dalai, E. Zangrando, F. Lloret, N.R. Chaudhuri, Chem. Commun. (2001) 1444.
21. T.K. Maji, P.S. Mukherjee, S. Koner, G. Mostafa, J. Tuchagues, and N.R. Chaudhuri Inorg. Chem. Acta 314 2001 111
22. S. Koner, S. Iijima, F. Mizutani, K. Harata, M. Watanabe, A. Nagasawa, and M. Sato Polyhedron 18 1999 2201
23. R. Vicente, A. Escuer, J. Ribas, M.S. El-Fallsh, X. Solans, and M. Font-Bardía Inorg. Chem. 32 1993 1920
24. J. Ribas, M. Montfort, C. Diaz, C. Bastos, and X. Solans Inorg. Chem. 33 1994 484
25. R. Cortès, L. Pizarro, M.S. Arriotua, and T. Rojo Inorg. Chem. 33 1994 2697
26. M.A. Aebersold, B. Gillon, O. Plantevin, L. Pardi, O. Kahn, P. Bergerat, I.V. Seggern, F. Tuczek, L. Öhrström, A. Grand, and E. Lelièvre-berna J. Am. Chem. Soc. 120 1998 5238
27. C.S. Hong, and Y. Do Angew. Chem. Int. Ed. 38 1999 193
28. E. Ruiz, J. Cano, S. Alvarez, and P. Alemany J. Am. Chem. Soc. 120 1998 11122
29. O. Kahn Inorg. Chem. Acta 62 1982 3
30. Z. Shen, J.L. Zuo, S. Gao, Y. Song, Chi-Ming. Che, F. Hoong-Kun, and X.Z. You Angew. Chem. Int. Ed. 39 2000 3633
31. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2 K, An augmented plane wave+local orbitals porgram for calculating crystal properties, Karlheinz Schwarz, Technical Univeresität Wien, Austria, 2001, ISBN 3-9501031-1-2.
32. J.P. Perdew, S. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865