Large magnetic anisotropy in pentacoordinate NiII complexes

Chemistry - A European Journal

Volumn 14, Issue 4, 2008, Pages 1169-1177

  Rebilly, Jean Noël ^a   Charron, Gaëlle ^a   Rivière, Eric ^a   Guillot, Régis ^a   Barra, Anne Laure ^b   Serrano, Marc Durán ^c   Van Slageren, Joris ^c   Mallah, Talal ^a  

^a UNIVERSITÉ PARIS SUD   (France)

^b GRENOBLE HIGH MAGNETIC FIELD LABORATORY   (France)

^c UNIVERSITY OF STUTTGART   (Germany)

Author keywords

EPR spectroscopy; Macrocyclic ligands; Magnetic properties; N ligands; Nickel

Indexed keywords

ELECTRON SPIN RESONANCE SPECTROSCOPY; HAMILTONIANS; MAGNETIC ANISOTROPY; MAGNETIC FIELD EFFECTS; NICKEL; PARAMETER ESTIMATION;

EPR SPECTROSCOPY; FREQUENCY-DOMAIN MAGNETIC RESONANCE SPECTROSCOPY (FDMRS); MACROCYCLIC LIGANDS; SYSTEMATIC CALCULATIONS;

LIGANDS;

EID: 38849115166     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200701243     Document Type: Article

References (45)

1. a) A. L. Barra, L.-C. Brunel, D. Gatteschi, L. Pardi, R. Sessoli, Acc. Chem. Res. 1998, 31, 460;
2. b) A.-L. Barra, A. Caneschi, A. Cornia, A. F. Fabrizi de Biani, C. Fabretti, D. Gatteschi, C. Sangregorio, R. Sessoli, L. Sorace, J. Am. Chem. Soc. 1999, 121, 5302;
3. c) A. Caneschi, D. Gatteschi, N. Lalioti, C. Sangregorio, R. Sessoli, G. Venturi, A. Vindigni, A. Rettori, M. G. Pini, M. A. Novak, Angew. Chem. 2001, 113, 1810-1813;
4. Angew. Chem. Int. Ed. 2001, 40, 1760;
5. d) R. Clerac, H. Miyasaka, M. Yamashita, C. Coulon, J. Am. Chem. Soc. 2002, 124, 12837;
6. e) R. Lescouëzec, J. Vaissermann, C. Ruiz-Perez, F. Lloret, R. Carrasco, M. Juive, M. Verdaguer, Y. Dromzee, D. Gatteschi, W. Wernsdorfer, Angew. Chem. 2003, 115, 1521;
7. Angew. Chem. Int. Ed. 2003, 42, 1483;
8. f) D. Collison, M. Murrie, V. S. Oganesyan, S. Piligkos, N. R. J. Poolton, G. Rajaraman, G. M. Smith, A. J. Thompson, G. A. Timko, W. Wernsdorfer, R. E. P. Winpenny, E. J. McInnes, Inorg. Chem. 2003, 42, 5293;
9. g) L. M. C. Beltran, J. R. Long, Acc. Chem. Res. 2005, 38, 325-334;
10. h) S. J. Langley, M. Helliwell, R. Sessoli, P. Rosa, W. Wernsdorfer, R. E. P. Winpenny, Chem. Commun. 2005, 5029;
11. i) S. Accorsi, A.-L. Barra, A. Caneschi, G. Chastanet, A. Cornia, A. C. Fabretti, D. Gatteschi, C. Mortalo, E. Olivieri, F. Parenti, P. Rosa, R. Sessoli, L. Sorace, W. Wernsdorfer, L. Zobbi, J. Am. Chem. Soc. 2006, 128, 4742;
12. j) J. N. Rebilly, T. Mallah, Struct. Bonding (Berlin) 2006, 122, 103;
13. k) D. Brinzei, L. Catala, C. Mathonière, W. Wernsdorfer, A. Gloter, O. Stephan, T. Mallah, J. Am. Chem. Soc. 2007, 129, 3778.
14. O. Kahn, Molecular Magnetism, VCH, Weinheim, 1993.
15. F. E. Mabbs, D. Collison in Electron Paramagnetic Resonance of d Transition Metal Compounds, Elsevier, Amsterdam, 1992, pp. 480.
16. a) R. Boca, Coord. Chem. Rev. 2004, 248, 757-815, and references therein;
17. b) G. Rogez, J. N. Rebilly, A. L. Barra, L. Sorace, G. Blondin, N. Kirchner, M. Duran, J. van Slageren, S. Parsons, L. Ricard, A. Marvilliers, T. Mallah, Angew. Chem. 2005, 117, 1910;
18. Angew. Chem. Int. Ed. 2005, 44, 1876;
19. c) D. Dobrzynska, L. B. Jerzykiewicz, M. Duczmal, A. Wojciechowska, K. Jablonska, J. Palus, A. Ozarowski, Inorg. Chem. 2006, 45, 10479;
20. d) J. Titis, R. Boca, L. Dlhan, T. Durcekova, H. Fuess, R. Ivanikova, V. Mrazova, I. Svoboda, Polyhedron 2007, 26, 1523.
21. a) J. Krzystek, J. H. Park, M. W. Meisel, M. A. Hitchman, H. Stratemeier, L. C. Brunel, J. Telser, Inorg. Chem. 2002, 41, 4478-4487;
22. b) S. Vongtragool, B. Gorshunov, M. Dressel, J. Krzystek, D.M. Eichhorn, J. Telser, Inorg. Chem. 2003, 42, 1788;
23. c) P. J. Desrochers, J. Telser, S. A. Zvyagin, A. Ozarowski, J. Krzystek, D. A. Vicic, Inorg. Chem. 2006, 45, 8930.
24. a) G. Haselhorst, S. Stoetzel, A. Strassburger, W. Walz, K. Wieghardt, B. Nuber, J. Chem. Soc. Dalton Trans. 1993, 83;
25. b) J. N. Rebilly, L. Catala, E. Riviere, R. Guillot, W. Wernsdorfer, T. Mallah, Inorg. Chem. 2005, 44, 8194.
26. Selected bond lengths [A] and angles [°] for 1: Ni-N1 2.0829(17), Ni-N2 2.1883(17), Ni-N3 2.1346(17), Ni-CI12.3914(6), Ni-Cl2 2.2870(6); N1-Ni-N2 85.23(6), Ni-Ni-N3 86.89(6), Ni-Ni-Cl1 93.37(5), Ni-Ni-Cl2 121.52(5), N2-Ni-N3 82.77(6), N2-Ni-Cl1 176.38(4), N2-Ni-Cl2 93.10(5), N3-Ni-Cl1 93.83(5), N3-Ni-Cl2 150.98(5), Cl1-Ni-Cl2 90.48(2). For 2: Ni-N1 2.080(3), Ni-N2 2.208(3), Ni-N3 2.127(3), Ni-Br1 2.5480(8), Ni-Br2 2.4615(8); N1-Ni-N2 85.24(12), N1-Ni-N3 87.43(13), N1-Ni-Br1 94.73(9), N1-Ni- Br2 118.20(9), N2-Ni-N3 81.80(12), N2-Ni-Br1 177.50(8), N2-Ni-Br2 93.54(9), N3-Ni-Br1 95.69(9), N3-Ni-Br2 153.62(9), Br1-Ni-Br2 88.68(3). For 3: Ni-N1 2.068(2), Ni-N2 2.152(2), Ni-N3 2.114(2), Ni-N1B 2.014(3), Ni-N2A 1.982(3); N1-Ni-N2 86.28(10), N1-Ni-N3 87.18(9), N1-Ni-N1B 92.94(12), N1-Ni-N2A 121.36(11), N2-Ni-N3 83.46(9), N2-Ni-N1B 177.75(10), N2-Ni-N2A 93.32(11), N3-Ni-N1B 94.39(10), N3-Ni-N2A 151.11(11), N1B-Ni-N2A 88.90(12).
27. N. Kirchner, J. van Slageren, M. Dressel, Inorg. Chim. Acta 2007, DOI: 10.1016/j.ica.2007.01.013.
28. A.-L. Barra, L.-C. Brunel, J. B. Robert, Chem. Phys. Lett. 1990, 165, 107.
29. J. Glerup, H. Weihe, Acta Chem. Scand. 1991, 45, 444.
30. a) A. B. P. Lever, Inorganic Electronic Spectroscopy, Elsevier, Amsterdam, 1984;
31. b) A. Bencini, I. Ciofini, M. G. Uytterhoeven, Inorg. Chim. Acta 1998, 274, 90;
32. c) A. Bencini, C. Benelli, D. Gatteschi, Coord. Chem. Rev. 1984, 60, 131;
33. d) I. Bertini, D. Gatteschi, A. Scozzafava, Inorg. Chem. 1976, 15, 203;
34. e) A. B. P. Lever, I. M. Walker, P.J. McCarthy, K. B. Mertes, A. Jircitano, R. Sheldon, Inorg. Chem. 1983, 22, 2252;
35. f) L. Y. Martin, C. Robert Sperati, D. H. Bush, J. Am. Chem. Soc. 1977, 99, 3778;
36. g) R. J. Deeth, M. Gerloch, Inorg. Chem. 1987, 26, 2582;
37. h) R. Stranger, S. C. Wallis, L. R. Gahan, C. H. L. Kennard, K. A. Byriel, J. Chem. Soc. Dalton Trans. 1992, 2971.
38. [11g]
39. σ was maintained at a constant value.
40. -1.
41. -1 and EID=0.04).
42. a) G. M. Sheldrick, SHELXS-97, Program for crystal structure solution, University of Göttingen, Göttingen, Germany, 1990;
43. b) G. M. Sheldrick, SHELXL-97, Program for the refinement of crystal structures from diffraction data, University of Göttingen, Göttingen, Germany, 1997.
44. L. J. Farrugia, J. Appl. Crystallogr. 1999, 32, 837.
45. J. van Slageren, S. Vongtragool, B. Gorshunov, A. A. Mukhin, N. Karl, J. Krzystek, J. Telser, A. Müller, C. Sangregorio, D. Gatteschi, M. Dressel, Phys. Chem. Chem. Phys. 2003, 5, 3837.