Structural Study by Wide-Angle X-ray Scattering of the Spin Transition Molecular Materials [Fe(Htrz)2(trz)] (BF4) and [Fe(NH2trz)3](NO3)2 (Htrz = 1,2,4-4H-Triazole, trz = 1,2,4-Triazolato)

Chemistry of Materials

Volumn 10, Issue 4, 1998, Pages 980-985

  Verelst, Marc ^a   Sommier, Line ^b   Lecante, Pierre ^a   Mosset, Alain ^a   Kahn, Olivier ^b  

^a CEMES CNRS   (France)

^b INST CHIM MATIERE COND BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000418399     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm970375s     Document Type: Article

References (25)

1. Kahn, O.; Launay, J. P. Chemtronics 1988, 3, 140.
2. Kahn, O. Molecular Magnetism; VCH: New York, 1993.
3. See for example: (a) Mosset, A.; Lecante, P.; Galy, Phil. Mag. B 1982, 46, 137. (b) Burian, A.; Lecante, P.; Mosset A.; Galy, J. J. Non-Cryst. Solids 1987, 90, 633. (c) Laberty, C.; Vereist, M.; Lecante, P.; Mosset, A.; Alphonse, P.; Rousset, A. J. Solid-State Chem. 1997, 129, 271-276.
4. See for example: (a) Mosset, A.; Lecante, P.; Galy, Phil. Mag. B 1982, 46, 137. (b) Burian, A.; Lecante, P.; Mosset A.; Galy, J. J. Non-Cryst. Solids 1987, 90, 633. (c) Laberty, C.; Vereist, M.; Lecante, P.; Mosset, A.; Alphonse, P.; Rousset, A. J. Solid-State Chem. 1997, 129, 271-276.
5. See for example: (a) Mosset, A.; Lecante, P.; Galy, Phil. Mag. B 1982, 46, 137. (b) Burian, A.; Lecante, P.; Mosset A.; Galy, J. J. Non-Cryst. Solids 1987, 90, 633. (c) Laberty, C.; Vereist, M.; Lecante, P.; Mosset, A.; Alphonse, P.; Rousset, A. J. Solid-State Chem. 1997, 129, 271-276.
6. Vogt. T.; Faulmann, C.; Soules, R.; Lecante, P.; Mosset, A.; Castan, P.; Cassoux, P.; Galy, J. J. Am. Chem. Soc. 1988, 110, 1833.
7. Kröber, J.; Codjovi, E.; Kahn, O.; Golière, F.; Jay, C. J. J. Am. Chem. Soc. 1993, 775, 9810.
8. Kröber, J.; Audiere, J.; Codjovi, E.; Kahn, O.; Haasnoot, J.; Grolière, F.; Jay, C; Bousseksou, A.; Linares, J.; Varret, F.; Gonthier-Vassal, A. Chem. Mater. 1994, 6, 1404.
9. Michalowicz, A.; Moscovici, J.; Ducourant, B.; Cracco, D.; Kahn, O. Chem. Mater. 1995, 7, 1833.
10. The LASIP diffractometer has a geometry specially set up for diffusion measurements. It minimizes every external parasite diffusion phenomenon.
11. (a) Norman, N. Acta Crystallogr. 1957,10, 370.
12. (b) Krogh-Moe, J. Acta Crystallogr. 1956, 9, 951.
13. Cromer, D.; Waber, J. International Tables for X-ray Crystallography; Kynoch Press: Birmingham, 1974; Vol. 4.
14. CERIUS2 molecular simulation program is supplied by BIOSYM technologies and runs on an Indy Silicon Graphics workstation.
15. See for example: Rappe, A.; Colwell, K.; Casewit, C. Inorg. Chem. 1993, 32, 3438.
16. Debye, P. Ann. Phys. (Leipzig), 1915, 46, 809.
17. (a) König, E. Prog. Inorg. Chem. 1987, 35, 527.
18. (b) Gallois, B.; Real, J. A.; Hauw, C.; Zarembowitch, J. Inorg. Chem. 1990, 29, 1152.
19. In fact, on Figure 1c the fit is almost perfect between 6 and 8 A but the theoretical peak centred at 8.6 Å is now too strong as compared to Figure 1b. This increase is due to Fe-F distances with non-hydrogen-bonded fluoride atoms. It is possible to cancel this defect by introducing high thermal parameters for these atoms. Even if it is chemically acceptable to consider that these atoms are not well localized, we prefer to follow a fitting procedure using fixed thermal parameters for each atom. Indeed in WAXS we have not enough experimental parameters to allow us to use a refinement procedure including many fitting parameters. Working with such a large number of parameters would result in very well-fitted curves but in an artificial way.
20. See for example: (a) Gütlich, P. Struct. Bonding (Berlin) 1981, 44, 83. (b) König, E.; Ritter, G.; Kulshreshtha, S. Chem. Rev. 1985, 85, 219.
21. See for example: (a) Gütlich, P. Struct. Bonding (Berlin) 1981, 44, 83. (b) König, E.; Ritter, G.; Kulshreshtha, S. Chem. Rev. 1985, 85, 219.
22. For interesting studies of the correlation between the spin crossover phenomenon and the rhombic distortion see for example: (a) Real, J. A.; Muñoz, M. C.; Andreas, E.; Granier, T.; Gallois, B. Inorg. Chem. 1994, 33, 3587. (b) Chang, H.-R.; McCuster, J. K.; Toflund, H.; Wilson, S. R.; Trautwein, A. X.; Winkler, H.; Hendrikson D. N. J. J. Am. Chem. Soc. 1990, 112, 6814. (c) Purcell, K. F. J. J. Am. Chem. Soc. 1979, 101, 5147.
23. For interesting studies of the correlation between the spin crossover phenomenon and the rhombic distortion see for example: (a) Real, J. A.; Muñoz, M. C.; Andreas, E.; Granier, T.; Gallois, B. Inorg. Chem. 1994, 33, 3587. (b) Chang, H.-R.; McCuster, J. K.; Toflund, H.; Wilson, S. R.; Trautwein, A. X.; Winkler, H.; Hendrikson D. N. J. J. Am. Chem. Soc. 1990, 112, 6814. (c) Purcell, K. F. J. J. Am. Chem. Soc. 1979, 101, 5147.
24. For interesting studies of the correlation between the spin crossover phenomenon and the rhombic distortion see for example: (a) Real, J. A.; Muñoz, M. C.; Andreas, E.; Granier, T.; Gallois, B. Inorg. Chem. 1994, 33, 3587. (b) Chang, H.-R.; McCuster, J. K.; Toflund, H.; Wilson, S. R.; Trautwein, A. X.; Winkler, H.; Hendrikson D. N. J. J. Am. Chem. Soc. 1990, 112, 6814. (c) Purcell, K. F. J. J. Am. Chem. Soc. 1979, 101, 5147.
25. The definition of the rhombic distortion has been clearly presented by: Muetterties, E. L.; Guggenberger, L. J. J. Am. Chem. Soc. 1974, 96, 1748.