Evidence for transmission of ferromagnetic interactions through hydrogen bonds in alkyne-substituted nitroxide radicals: Magnetostructural correlations and polarized neutron diffraction studies

Journal of the American Chemical Society

Volumn 122, Issue 7, 2000, Pages 1298-1309

  Romero, Francisco M ^a,e,f   Ziessel, Raymond ^a   Bonnet, Michel ^b   Pontillon, Yves ^b   Ressouche, Eric ^b   Schweizer, Jacques ^b   Delley, Bernard ^c   Grand, André ^b   Paulsen, Carley ^d  

^a CNRS ESA 7008   (France)

^b CEA GRENOBLE   (France)

^c PAUL SCHERRER INSTITUTE   (Switzerland)

^d CNRS   (France)

^e UNIVERSITY OF VALENCIA   (Spain)

^f INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

FERROMAGNETIC MATERIAL; NITROXIDE; RADICAL;

ARTICLE; CRYSTAL STRUCTURE; HYDROGEN BOND; MAGNETISM; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; STRUCTURE ANALYSIS; TEMPERATURE;

EID: 0033998174     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja992673r     Document Type: Article

References (49)

1. Molecular Magnetism: From Molecular Assemblies to the Devices; Coronado, E., Delhaès, P., Gatteschi, D., Miller, J. S., Eds.; NATO Advanced Study Institute Series E321; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1996.
2. Kahn, O. Molecular Magnetism; VCH: New York, 1993.
3. Ullman, E. F.; Osiecki, J. H.; Boocock, D. G. B.; Darcy, R. J. Am. Chem. Soc. 1972, 94, 7049.
4. Caneschi, A.; Gatteschi, D.; Sessoli, R.; Rey, P. Acc. Chem. Res. 1989, 22, 392.
5. Caneschi, A.; Gatteschi, D.; Rey, P. Prog. Inorg. Chem. 1991, 39, 331.
6. Luneau, D.; Risoan, G.; Rey, P.; Grand, A.; Caneschi, A.; Gatteschi, D.; Laugier, J. Inorg. Chem. 1993, 32, 5616.
7. Luneau, D.; Romero, F. M.; Ziessel, R. Inorg. Chem. 1998, 37, 5078-5087.
8. Fegy, K.; Luneau, D.; Ohm, T.; Paulsen, C.; Rey, P. Angew. Chem., Int. Ed. Engl. 1998, 37, 1270.
9. Fegy, K.; Sanz, N.; Luneau, D.; Belorizky, E.; Rey, P. Inorg. Chem. 1998, 37, 4518-4523.
10. Fegy, K.; Luneau, D.; Belorizky, E.; Novak, M.; Tholence, J.-L.; Paulsen, C.; Ohm, T.; Rey, P. Inorg. Chem. 1998, 37, 4524.
11. Kinoshita, M.; Turek, P.; Tamura, M.; Nozawa, K.; Shiomi, D.; Nakazawa, Y.; Ishikawa, M.; Takahashi, M.; Awaga, K.; Inabe, T.; Maruyama, Y. Chem. Lett. 1991, 1225.
12. Sugawara, T.; Matsushita, M. M.; Izuoka, A.; Wada, N.; Takeda, N.; Ishikawa, M. J. Chem. Soc., Chem. Commun. 1994, 1723.
13. Nogami, T.; Ishida, T.; Tsuboi, H.; Yoshikawa, H.; Yamamoto, H.; Yasui, M.; Iwasaki, F.; Iwamura, H.; Takeda, N.; Ishikawa, M. Chem. Lett. 1995, 635.
14. Cirujeda, J.; Mas, M.; Molins, E.; Lanfranc de Panthou, F.; Laugier, J.; Park, G. P.; Paulsen, C.; Rey, P.; Rovira, C.; Veciana, J. J. Chem. Soc., Chem. Commun. 1995, 709.
15. Caneschi, A.; Ferraro, F.; Gatteschi, D.; Le Lirzin, A.; Novak, M. A.; Rentschler, E.; Sessoli, R. Adv. Mater. 1995, 7, 476.
16. Romero, F. M.; Ziessel, R.; Drillon, M.; Tholence, J.-L.; Paulsen, C.; Kyritsakas, N.; Fischer, J. Adv. Mater. 1996, 8, 826.
17. Togashi, K.; Imachi, R.; Tomioka, K.; Tsuboi, H.; Ishida, T.; Nogami, T.; Takeda, N.; Ishikawa, M. Bull. Chem. Soc. Jpn. 1996, 69, 2821.
18. Chiarelli, R.; Novak, M. A.; Rassat, A.; Tholence, J.-L. Nature 1993, 363, 147-149.
19. McConnell, H. M. J. Chem. Phys. 1963, 39, 1910.
20. Kollmar, C.; Kahn, O. Acc. Chem. Res. 1993, 26, 259.
21. Yoshizawa, K.; Hoffmann, R. J. Am. Chem. Soc. 1995, 117, 6921.
22. Yamaguchi, K.; Okumura, M.; Maki, J.; Noro, T.; Namimoto, H.; Nakano, M.; Fueno, T.; Nakasuji, K. Chem. Phys. Lett. 1992, 190, 353.
23. Desiraju, G. R. Angew. Chem., Int. Ed. Engl. 1995, 34, 2311.
24. Desiraju, G. R. Chem. Commun. 1997, 1475.
25. Cirujeda, J.; Hernández-Gasió, E.; Rovira, C.; Stanger, J.-L.; Turek, P.; Veciana, J. J. Mater. Chem. 1995, 5, 243.
26. Galoppini, E.; Gilardi, R. Chem. Commun. 1999, 173.
27. Robinson, J. M. A.; Phip, D.; Kariuki, B. M.; Harris, K. D. M. Chem. Commun. 1999, 329.
28. Gavezzotti, A. Acc. Chem. Res. 1994, 27, 309.
29. Deumal, M.; Cirujeda, J.; Veciana, J.; Novoa, J. J. Adv. Mater. 1998, 10, 1461.
30. Romero, F. M.; Ziessel, R.; De Cian, A.; Fischer, J.; Turek, P. New J. Chem. 1996, 20, 919.
31. Crystal data (unpolarized neutron diffraction, T = 6.5 K) for 1: a (Å) = 6.283(15); b (Å) = 11.811(30); c (Å) = 17.526(43); β (deg) = 93.72-(11). Atomic coordinates and anisotropic thermal parameters have been refined, from room-temperature values, using the ORXFLS program (see: Busing, W. R.; Martin, K. G.; Levy, H. A. Report O. R. N. L. 59-37; Oak Ridge National Laboratory: Oak Ridge, TN, 1991). The resulting conventional weighting R factor is 0.0604 for 3847 observed reflections (1645 independent) and 316 parameters.
32. Baker, G. A.; Rushbrooke, G. S.; Gilbert, H. E. Phys. Rev. A. 1964, 135, 1272.
33. Hatfield, W. E.; Weller, R. R.; Hall, J. W. Inorg. Chem. 1980, 19, 3825.
34. Shawitt, I. Methods of Configuration Interaction. In Modern Theoretical Chemistry; Shaefer, H. F., III, Ed.; Plemum Press: New York, 1977; Vol 3, p 189.
35. Kohn, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
36. Zheludev, A.; Barone, V.; Bonnet, M.; Delley, B.; Grand, A.; Ressouche, E.; Rey, P.; Subra, R.; Schweizer, J. J. Am. Chem. Soc. 1994, 116, 2019.
37. DGAUSS UniChem4, Cray Research Inc., Cray Research Park, 655 Lone Oak Dr., Eogan, MN.
38. Zheludev, A.; Bonnet, M.; Delley, M.; Grand, A.; Luneau, D.; Örström, L.; Ressouche, E.; Rey, P.; Schweitzer, J. J. Magn. Magn. Mater. 1995, 145, 293.
39. Stalling, J.; Gull, S. F. In Maximum Entropy and Bayesian Methods in Inverse Problems; Smith, R. C., Grandy, W. T., Jr., Eds.; Reidel: Dordrecht, The Netherlands, 1995.
40. Papoular, R. J.; Gillon, B. Europhys. Lett. 1990, 13, 429.
41. Gillon, B.; Schweitzer, J. In Study of Chemical Bonding in Molecules: The Interest of Polarized Neutron Diffraction, Molecules in Physics, Chemistry and Biology; Maruani, J., Ed.; Kluvwer Academic Publishers: Dordrecht, The Netherlands.
42. Pontillon, Y.; Akita, T.; Grand, A.; Kobayashi, K.; Lelièvre-Berna, E.; Pécaut, J.; Ressouche, E.; Schweizer, J. J. Am. Chem. Soc. 1999, 21, 10126.
43. DMOL, Biosym Technologies Inc., 9686 Scranton Rd., San Diego,
44. Engdahl, A.; Nelander, B. J. Chem. Phys. 1987, 86, 1819.
45. Bordeaux, D.; Boucherie, J. X.; Delley, B.; Gillon, B.; Ressouche, E.; Schweizer, J. Z. Naturforsch. A: Phys. Sci. 1993, 48a, 117.
46. Ressouche, E.; Boucherie, J. X.; Gillon, B.; Rey, P.; Schweizer, J. J. Am. Chem. Soc. 1993, 115, 3610.
47. Yamanaka, S.; Kawakami, T.; Nagao, H.; Yamaguchi, K. Chem. Phys. Lett. 1994, 231, 25.
48. Hernandez, E.; Mas, M.; Molins, E.; Rovira, C.; Veciana, J. Angew. Chem., Int. Ed. Engl. 1993, 32, 882.
49. Desiraju, G. Acc. Chem. Res. 1991, 24, 290.