Magnetic exchange interaction between paramagnetic transition metal ions and radical ligands. A 9,10-dioxophenanthrenesemi-quinonato adduct of a nickel(II)-tetraazamacrocycle complex and DFT description

Dalton Transactions

Volumn , Issue 9, 2003, Pages 1701-1706

  Bencini, Alessandro ^a   Carbonera, Chiara ^a   Dei, Andrea ^a   Vaz, Maria G F ^a,b  

^a UNIVERSITY OF FLORENCE   (Italy)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

FERROMAGNETISM; MAGNETIC PROPERTIES; MAGNETIC SUSCEPTIBILITY; NICKEL; PARAMAGNETISM;

FERROMAGNETIC COUPLING; MAGNETIC EXCHANGE INTERACTION; RADICAL LIGAND;

TRANSITION METALS;

EID: 1842528538     PISSN: 14779226     EISSN: None     Source Type: Journal    
DOI: 10.1039/b300970j     Document Type: Article

References (75)

1. O. Kahn, in Molecular Magnetism, VCH, Weinheim, 1993.
2. D. Gatteschi, Adv. Mater., 1994, 6, 635.
3. Magnetism: Molecules to Materials, ed. J. S. Miller and M. Drillon, Wiley-VCH, Weinmheim, 2001.
4. ed. D. Gatteschi, O. Kahn, J. S. Miller and F. Palacio, in Magnetic Molecular Materials, Kluwer Academic, Dordrecht, 1991.
5. P. M. Lahti, in Magnetic Properties of Organic Materials, M. Dekker, New York, 1999.
6. Mol. Cryst. Liq. Cryst., 1993, 232-233, ed. H. Iwamura and J. S. Miller.
7. J. S. Miller and A. J. Epstein, Mol. Cryst. Liq. Cryst., 1995, 271-274, 1.
8. S. H. Bodnar, A. Caneschi, A. Dei, D. A. Shultz and L. Sorace, Chem. Commun., 2001, 2150.
9. A. Dei and D. A. Shultz, unpublished work.
10. C. G. Pierpont and C. W. Lange, Prog. Inorg. Chem., 1994, 41, 331.
11. C. G. Pierpont, Coord. Chem. Rev., 2001, 219-221,415.
12. A. Dei and D. Gatteschi, Inorg. Chim. Acta, 1992, 198-200, 813.
13. A. Caneschi, A. Dei, D. Gatteschi and V. Tangoulis, Inorg. Chem., 2002, 41, 3508.
14. M. Ruf, B. C. Noll, M. D. Groner, G. T. Yee and C. G. Pierpont, Inorg. Chem., 1997, 36, 4860.
15. D. Ruiz, J. Yoo, I. A. Guzei, A. N. Rheingold and D. N. Hendrickson, Chem. Commun., 1998, 2089.
16. D. E. Wheeler and J. K. McCusker, Inorg. Chem., 1998, 37, 2296.
17. A. Caneschi, A. Dei, H. Lee, D. A. Shultz and L. Sorace, Inorg. Chem., 2001, 40, 408.
18. A. Dei, D. Gatteschi, C. C. Massa, S. Poussereau, L. Pardi and L. Sorace, Chem. Eur. J., 2000, 6, 4580.
19. A. Caneschi, A. Dei, D. Gatteschi, L. Sorace and K. Vostrikova, Angew. Chem., Int. Ed Engl., 2000, 39, 246.
20. S. I. Gorelsky, A. B. P. Lever and M. Ebadi, Coord. Chem. Rev., 2002, 97-105, 230.
21. A. Bencini, I. Ciofini, E. Giannasi, C. A. Daul and K. Doclo, Inorg. Chem., 1998, 37, 3719.
22. C. G. Pierpont and R. M. Buchanan, Coord. Chem. Rev., 1981, 38, 87.
23. S. Bruni, A. Caneschi, F. Cariati, C. Delfs, A. Dei and D. Gatteschi, J. Am. Chem. Soc., 1994, 116, 1388.
24. A. Dei and L. Pardi, Inorg. Own. Acta, 1991, 181, 3.
25. J. Kaizer, J. Pap, G. Speier, L. Parkanyi, L. Korecz and A. Rockenbauer, J. Inorg. Biochem., 2002, 91, 190.
26. C. G. Pierpont, Coord. Chem. Rev., 2001, 219-221, 99.
27. R. M. Buchanan and C. G. Pierpont, J. Am. Chem. Soc., 1980, 102, 4951.
28. D. M. Adams, A. Dei, A. L. Rheingold and D. N. Hendrickson, J. Am. Chem. Soc., 1993, 115, 8221.
29. D. N. Hendrickson, D. M. Adams, C. C. Wu and S. M. J. Aubin, in Magnetism: a supramolecular function, ed. O. Kahn, Kluwer Academic Pub., Dordrecht, The Netherlands, 1996, series C, vol. 484, p. 357.
30. P. Gutlich and A. Dei, Angew. Chem., Int. Ed. Engl., 1997, 37, 2734.
31. D. A. Shultz, in Magnetism - Molecules to Materials II, ed. J. S. Miller and M. Drillon, Wiley-VCH, Weinheim, 2001, p. 281.
32. M. A. Haga, E. S. Dodsworth and A. B. P. Lever, Inorg. Chem., 1986, 25, 447.
33. F. Hartl and A. Vlcek, Inorg. Chem., 1996, 35, 1257;
34. F. Hartl, P. Barbaro, I. M. Bell, R. J. H. Clark, T. L. Snoeck and A. Vlcek, Inorg. Chim. Acta, 1996, 252, 157.
35. M. X. Labute, R. V. Kulkarni, R. G. Endres and D. L. Cox, J. Chem. Phys., 2002, 116, 3681.
36. P. De Loth, P. Cassoux, J. P. Daudey and J. P. Malrieu, J. Am. Chem. Soc., 1981, 103, 4007.
37. J. Miralles, J. P. Daudey and R. Caballol, Chem. Phys. Lett., 1992, 198, 555.
38. O. Castell, J. Miralles and R. Caballol, Chem. Phys., 1994, 179, 377.
39. K. Handrick, J. P. Malrieu and O. Castell, J. Chem. Phys., 1993, 101, 2205.
40. O. Castell, R. Caballol, V. M. Garcia and K. Handrick, Inorg. Chem., 1996, 35, 1609.
41. O. Castell and R. Caballol, Inorg. Chem., 1999, 38, 668.
42. W. Kohn, A. D. Becke and R. G. Parr, J. Phys. Chem., 1996, 100, 12974.
43. I. Ciofini, C. A. Daul and A. Bencini, Modeling Molecular Magnetism, in Recent Advances in DFT Methods, ed. V. Barone, A. Bencini and P. Fantucci, World Scientific, Singapore, 2002, vol. 1, part III, p. 106.
44. D. M. Adams and D. N. Hendrickson, J. Am. Chem. Soc., 1996, 118, 11515.
45. C. Roux, D. M. Adams, J. P. Itiè, A. Polian, D. N. Hendrickson and M. Verdaguer, Inorg, Chem., 1996, 35, 2846.
46. D. M. Adams, L. Noodleman and D. N. Hendrickson, Inorg. Chem., 1997, 36, 3966.
47. D. Ruiz-Molina, J. Veciana, K. Wurst, D. N. Hendrickson and C. Rovira, Inorg. Chem., 2000, 39, 617.
48. A. Caneschi, A. Dei, F. Fabrizi de Biani, P. Gutlich, V. Ksenofontov, G. Levchenko, A. Hoefer and F. Renz, Chem. Eur. J., 2001, 7, 3926.
49. O. Sato, S. Hayami, Z.-Z. Gu, K. Takahashi, R. Nakajima and A. Fujishima, Chem. Phys. Lett., 2002, 355, 169.
50. O. Sato, S. Hayami, Z. Z. Gu, K. Saki, R. Nakajima and A. Fujishima, Chem. Lett., 2001, 874.
51. F. Neuwahl, R. Righini and A. Dei, Chem. Phys. Lett., 2002, 352, 408.
52. A. Dei, F. Neuwahl, R. Righini and J. Van Slageren, Proceedings of the VIII International Conference on Molecule-based Magnets (ICMM), Valencia, Spain, 2002.
53. A. Bencini, C. Carbonera and A. Dei, Proceedings of the VIII International Conference on Molecule-based Magnets (ICMM), Valencia, Spain, 2002.
54. C. Benelli, A. Dei, D. Gatteschi and L. Pardi, Inorg. Chem., 1988, 27, 2831.
55. SIR97: A. Altomare, M. C. Burla, M. Camalli, G. Cascarano, C. Giocovazzo, A. Guagliardi, A. G. G. Moliterni, G. Polidori and R. Spagna, J. Appl. Crystallogr., 1999, 32, 115.
56. G. M. Sheldrick, SHELX-97, Programs for Crystal Structure Analysis (Release 97-2), University of Göttingen, Germany, 1998.
57. NWChem, a Computational Chemistry Package for Parallel Computers, Version 4.1, High Performance Computational Chemistry Group, Pacific Northwest National Laboratory, Richland, WA, 2002.
58. C. Slater, in Quantum Theory of Molecules and Solids, 1974, vol. 4, McGraw-Hill, New York.
59. S. J. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
60. A. D. Becke, J. Chem. Phys., 1997, 107, 8554.
61. T. H. Dunning, Jr. and P. J. Hay, in Modern Theoretical Chemistry, ed. H. F. Schaefer, Plenum, New York, vol. 3, 1976, pp. 1-28.
62. P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270.
63. P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 284;
64. P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299.
65. K. Eichkorn, O. Treutler, H. Öhm, M. Häser and R. Ahlrichs, Chem. Phys. Lett., 1995, 242, 652.
66. K. Eichkorn, O. Treutler, H. Öhm, M. Häser and R. Ahlrichs, Chem. Phys. Lett., 1995, 240, 283.
67. A. Dei, unpublished work.
68. C. Benelli, A. Dei, L. Pardi and D. Gatteschi, Inorg. Chem., 1989, 28, 1476.
69. J. H. Rodriguez, D. E. Wheeler and J. K. McCusker, J. Am. Chem. Soc., 1998, 120, 12051.
70. M. F. Charlot, Y. Journaux, O. Kahn, A. Bencini, D. Gatteschi and C. Zanchini, Inorg. Chem., 1986, 25, 1060.
71. (a) L. Noodlemann and E. R. Davidson, Chem. Phys., 1979, 70, 4903;
72. (b) L. Noodlemann, J. Chem. Phys., 1981, 74, 5737.
73. (a) S. Petrie and R. Stranger, Inorg. Chem., 2002, 41, 2341;
74. (b) C. Adamo, V. Barone, A. Bencini, F. Totti and I. Ciofini, Inorg. Chem., 1999, 38, 1996;
75. (c) A. Bencini, F. Totti, C. A. Daul, K. Doclo, P. Fantucci and V. Barone, Inorg. Chem., 1997, 36, 5022.