Theoretical study on magneto-structural correlation in trinuclear copper(II) complexes with the oxamato bridge

Journal of Molecular Structure: THEOCHEM

Volumn 718, Issue 1-3, 2005, Pages 49-53

  Sun, You Min ^a   Liu, Cheng Bu ^a   Qi, Zhong Nan ^a   Zhang, Dong Ju ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Broken symmetry approach; Density functional theory; Linear trinuclear copper(II) complexes; Magnetic coupling interaction; Magneto structural correlation

Indexed keywords

BRIDGED COMPOUND; COPPER COMPLEX;

ARTICLE; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; MAGNETISM; THEORETICAL STUDY;

EID: 15044362716     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.11.033     Document Type: Article

References (34)

1. O. Kahn Molecular Magnetism 1993 VCH New York
2. C. Boiteux, and J.-M. Mouesca J. Phys. Chem. 104 2000 2091
3. E. Ruiz, S. Alvarez, and P. Alemany Chem. Commun. 1998 2767
4. C. Adamo, V. Barone, A. Bencini, F. Totti, and I. Ciofini Inorg. Chem. 38 1999 1996
5. J. Ribas, A. Garcia, R. Costa, M. Monfort, S. Alvarez, C. Zanchini, X. Solans, and M.V. Domenech Inorg. Chem. 30 1991 841
6. S. Bi, C. Liu, and H. Hu J. Phys. Chem. B 106 2002 10786
7. Y.-M. Sun, C.-B. Liu, X.-J. Lin, and S.-W. Bi New J. Chem. 28 2004 270
8. T.R. Felthouse, E.J. Laskowski, and D.N. Hendrickson Inorg. Chem. 16 1977 1077
9. M. Julve, M. Verdaguer, O. Kahn, A. Gleizes, and M. Philoche-Levisalles Inorg. Chem. 22 1984 358
10. M. Julve, J. Faus, M. Verdaguer, and A. Gleizes J. Am. Chem. Soc. 106 1984 8306
11. M. Verdaguer, M. Julve, A. Michalowicz, and O. Kahn Inorg. Chem. 22 1983 2624
12. Y. Journaux, J. Sletten, and O. Kahn Inorg. Chem. 24 1985 4063
13. Y. Pei, M. Verdaguer, O. Kahn, J. Sletten, and J.P. Renard Inorg. Chem. 26 1987 138
14. K. Nonoyama, H. Ojima, K. Ohki, and M. Nonoyama Inorg. Chim. Acta 41 1980 155
15. A. Bencini, C. Benelli, D. Gatteschi, C. Zanchini, A.C. Fabretti, and G.C. Franchini Inorg. Chim. Acta 86 1984 169
16. R. Vicente, J. Ribas, S. Alvarez, A. Segui, and M. Verdaguer Inorg. Chem. 26 1987 4004
17. O. Kahn Angew. Chem., Int. Ed. Engl. 24 1985 834
18. J. Cano, E. Ruiz, P. Alemany, F. Lloret, and S. Alvarez J. Chem. Soc., Dalton Trans. 1999 1669
19. J. Tercero, C. Diaz, M.S. EI Fallah, J. Ribas, X. Solans, M.A. Maestro, and J. Mahia Inorg. Chem. 40 2001 3077
20. R. Veit, J.-J. Girerd, O. Kahn, F. Robert, and Y. Jeannin Inorg. Chem. 25 1986 4175
21. R. Costa, A. García, J. Ribas, T. Mallah, Y. Journaux, J. Seletten, X. Solans, and V. Rodríguez Inorg. Chem. 32 1993 3733
22. A. García, R. Costa, and J. Ribas Inorg. Chim. Acta 168 1990 249
23. H. Okawa, M. Kaikawa, S. Kida, D. Luneau, and H. Oshio J. Chem. Soc. Dalton Trans. 1990 469
24. P. Arrizabalzga, P. Castan, and F. Dahan Inorg. Chem. 22 1983 2245
25. E. Ruiz, A. Rodriguez-Fortea, J. Cano, S. Alvarez, and P. Alemany J. Comput. Chem. 23 2003 982
26. A. Rodriguez-Fortea, E. Ruiz, P. Alemany, and S. Alvarez Monatsh. Chem. 134 2003 307
27. L. Noodleman J. Chem. Phys. 74 1981 5737
28. R.E. Coffman, and G.R. Buettner J. Chem. Phys. 83 1979 2387
29. S.H. Vosko, L. Wilk, and M. Nusair Can. Phys. 58 1980 1200
30. A.D. Bedke Phys. Rev. A 38 1998 3098
31. J.P. Perdew Phys. Rev. B 33 1986 8822
32. P.M. Boerrighter, G. Te Velde, and E.J.. Baelends Int. J. Quant. Chem. 33 1988 87
33. M. Julve, M. Verdaguer, M.F. Charlot, O. Kahn, and R. Claude Inorg. Chim. Acta 82 1984 5
34. E. Ruiz, J. Cano, S. Alvarez, and P. Alemany J. Comput. Chem. 20 1999 1391