Ferromagnetic coupling induced by spin-orbit coupling in dipyridylamide linear trinuclear Cu-Pd-Cu and Cu-Pt-Cu complexes

Comptes Rendus Chimie

Volumn 15, Issue 2-3, 2012, Pages 170-175

  Maynau, Daniel ^a,b   Bolvin, Hélne ^a,b   Van Den Heuvel, Willem ^c   Bénard, Marc ^d   Rohmer, Marie Madeleine ^d   Ben Amor, Nadia ^a,b  

^a UNIVERSITÉ DE TOULOUSE   (France)

^b CNRS   (France)

^c UNIVERSITY OF LEUVEN   (Belgium)

^d UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Magnetic properties; Metal metal interactions; Palladium; Platinium; Quantum chemistry; Through bond interactions

Indexed keywords

EID: 84855944112     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2011.10.004     Document Type: Article

References (32)

1. J.K. Bera, and K.R. Dunbar Angew Chem. Int. Ed. 41 2002 4453
2. S.M. Peng, C.C. Wang, Y.L. Jang, Y.H. Chen, F.Y. Li, C.Y. Mou, and M.K. Leung J. Magn. Magn. Mater. 209 2000 80
3. I.P.C. Liu, G.H. Lee, S.M. Peng, M. Bénard, and M.M. Rohmer Inorg. Chem. 46 2007 9602
4. P. Malmqvist, B.O. Björn, and B. Schimmelpfennig Chem. Phys. Lett. 357 2002 230
5. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B Condens. Matter. 37 1988 785
6. A.D. Becke Phys. Rev. A At. Mol. Opt. Phys. 38 1988 3098
7. A.D. Becke J. Chem. Phys. 98 1993 5648
8. P. Malmqvist, A. Rendell, and B.O. Roos J. Phys. Chem. 94 1990 5477
9. B.O. Roos, P.R. Taylor, and P.E.M. Siegbahn Chem. Phys. 48 1980 157
10. B.O. Roos The complete active space self-consistent field method and its applications in electronic structure calculations K.P. Lawley, Advances in chemical physics; ab initio methods in quantum chemistry - II 1987 John Wiley & Sons Ltd Chichester, England 399 (chapter 69)
11. J. Miralles, O. Castell, R. Caballol, and J.P. Malrieu Chem. Phys. 172 1993 33
12. N. Ben Amor, and D. Maynau Chem. Phys. Lett. 286 1998 211
13. J. Cabrero, C. de Graaf, E. Bordas, R. Caballol, and J.P. Malrieu Chem. Eur. J. 9 2003 2307
14. D. Maynau, S. Evangelisti, N. Guihéry, C.J. Calzado, and J.P. Malrieu J. Chem. Phys. 116 2002 10060
15. Z. Barandiaran, L. Seijo, and S. Huzinaga J. Chem. Phys. 93 1990 5843
16. M. Casarrubios, and L. Seijo J. Chem. Phys. 110 1999 784
17. Z. Barandiaran, and L. Seijo Can. J. Chem. 70 1992 409
18. P.O. Widmark, B.J. Persson, and B.O. Roos Theor. Chim. Acta 79 1991 419
19. P. Malmqvist, B.O. Roos, and B. Schimmelpfennig Chem. Phys. Lett. 357 2002 230
20. G. Karlström, R. Lindh, P. Malmqvist, B.O. Roos, U. Ryde, V. Veryazov, P.O. Widmark, M. Cossi, B. Schimmelpfennig, P. Neogrady, and L. Seijo Comput. Mater. Sci. 28 2003 222
21. MOLCAS software: K. Andersson, M. Barysz, A. Bernhardsson, M. R.A. Blomberg, Y. Carissan, D.L. Cooper, M.P. Fülscher, L. Gagliardi, C. de Graaf, B.A. Hess, D. Hagberg, G. Karlström, R. Lindh, P. Malmqvist, T. Nakajima, P. Neogrády, J. Olsen, J. Raab, B.O. Roos, U. Ryde, B. Schimmelpfennig, M. Schütz, L. Seijo, L. Serrano-Andrés, P.E. M. Siegbahn, J. Stlring, T. Thorsteinsson, V. Veryazov, P.O. Widmark.
22. B. Hess. Phys. Rev. A. 1986 3742
23. M. Douglas and N.H. Kroll, Ann. Phys. (N.Y.) 82 (1974) 89
24. B.A. Hess, Phys. Rev. A., 32 (1985) 756
25. B.A. Hess, Phys. Rev. A., 33 (1986) 3742.
26. B.O. Roos, R. Lindh, P.A. Malmqvist, V. Veryazov, and P.O. Widmark J. Phys. Chem. A 109 2005 6575
27. B.O. Roos, R. Lindh, P. Malmqvist, V. Veryazov, and P.O. Widmark J. Phys. Chem. A 108 2005 2851
28. P.O. Widmark, P.A. Malmqvist, and B.O. Roos Theor. Chim. Acta 77 1990 291
29. P. de Loth, P. Cassoux, J.P. Daudey, and J.P. Malrieu J. Am. Chem. Soc. 103 1981 4007
30. C.J. Calzado, J. Cabrero, J.P. Malrieu, and R. Caballol J. Chem. Phys. 116 2002 2728
31. C.J. Calzado, J. Cabrero, J.P. Malrieu, and R. Caballol J. Chem. Phys. 116 2002 3985
32. Z. Tabookht, X. López, M. Bénard, and C. de Graaf J. Phys. Chem. A 114 2010 12291