Unusual coexistence of magnetic and nonmagnetic Mo6 octahedral clusters in a chalcohalide solid solution: Synthesis, X-ray diffraction, EPR, and DFT investigations of Cs3Mo6I6 iI2-xi_SexiI 6a

Chemistry - A European Journal

Volumn 13, Issue 34, 2007, Pages 9608-9616

  Kirakci, Kaplan ^a   Cordier, Stéphane ^a   Shames, Alex ^b   Fontaine, Bruno ^a   Hernandez, Olivier ^a   Furet, Eric ^a   Halet, Jean François ^a   Gautier, Régis ^a   Perrin, Christiane ^a  

^a INSTITUT DES SCIENCES CHIMIQUES DE RENNES   (France)

^b BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

Cluster compounds; Halides; Magnetic properties; Molybdenum; Solid state reactions

Indexed keywords

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; MOLYBDENUM; PARAMAGNETIC RESONANCE; SOLID STATE REACTIONS; X RAY DIFFRACTION;

CLUSTER COMPOUNDS; CRYSTAL X-RAY DIFFRACTION; HALIDES; VALENCE ELECTRONS;

SOLID SOLUTIONS;

EID: 36649001794     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200700370     Document Type: Article

References (40)

1. H. Schäfer, H.-G. von Schnering, Angew. Chem. 1964, 76, 833.
2. C. Perrin, J. Alloys Compd. 1997. 262-263, 10.
3. T. G. Gray, Coord. Chem. Rev. 2003, 243. 213.
4. R. Chevrel, M. Sergent, Top. Curr. Phys. 1982, vol 32 (Eds.: O. Fischer and M. P. Maple) Springer, p25.
5. Y. Q. Zheng, H. Borrmann, Y. Grin, K. Peters, H. G. von Schnering, Z. Anorg. Allg. Chem. 1999, 625, 2115.
6. M. Ebihara, K. Isobe, Y. Sasaki, K. Saito. Inorg. Chem. 1992, 31, 1644.
7. K. Kirakci, S. Cordier, C. Perrin, C.R. Chim. 2005, 8, 1712.
8. A. Slougui, A. Perrin, M. Sergent, J. Solid State Chem. 1999, 147, 358.
9. a) S. Cordier, O. Hernandez, C. Perrin. J. Solid State Chem. 2002, 163, 319:
10. b) S. Cordier, C. Perrin, J. Solid State Chem. 2004, 177, 1017.
11. F. Ogliaro, S. Cordier, J.-F. Halet, C. Perrin. J.-Y. Saillard, M. Sergent, Inorg. Chem. 1998, 37, 6199.
12. J.R. Pilbrow, in Transition Ion Electron Paramagnetic Resonance, Clarendon, Oxford, 1990.
13. a) K. Kirakci, S. Cordier, C. Perrin, Z. Anorg. Allg. Chem. 2005, 631, 411;
14. b)S. Cordier, N. Naumov. D. Salloum, F. Paul, C. Perrin, Inorg. Chem. 2004, 43, 219.
15. R. Stanger, I.E. Grey, I. C. Madsen, P.W. Smith, J. Solid State Chem. 1987, 69, 162.
16. C. Perrin, M. Sergent, F. Le Traon, A. Le Traon, J. Solid State Chem. 1978, 25, 197.
17. Nonius COLLECT. DENZO, SCALEPACK, SORTAV: KappaCCD Program Package, Nonius BV, Delft, The Netherlands, 1999.
18. G. M. Sheldrick, SADABS version 2.03, Bruker AXS Inc., Madison, WI, USA, 2002.
19. R. E. Marsh, Acta Crystallogr, Sect. B, 1999, 51, 897.
20. A. Altomare, M. C. Burla, M. Camalli, G. L. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. Moliterni, G. Polidori, R. Spagna, J. Appl. Crystallogr. 1999, 32, 115.
21. G. M. Sheldrick, SHELXL-97: Program for the Refinement of Crystal Structure. University of Göttingen. Göttingen. 1997.
22. a) R. P. Shannon, Acta Crystallogr. Sect. A 1976, 32, 751;
23. b) K. Kirakci, S. Cordier, C. Perrin, Chem. Eur. J. 2006, 12, 6419:
24. c) K. Kirakci, S. Cordier, O. Hernandez, T. Roisnel, C. Perrin, J. Solid State Chem. 2005, 178, 3117.
25. P. Thomson, D. E. Cox, J. B. Hastings, J. Appl. Crystallogr, 1987, 20, 79.
26. J. Rodriguez-Carvajal, FULLPROF: A Program for Rietveld Refinement and Pattern Matching Analysis, Abstracts of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr, Toulouse, France, 1990, p127.
27. T. Roisnel, J. Rodriguez-Carvajal, WinPLOTR: A Windows tool for powder diffraction patterns analysis, in Proceedings of the Seventh European Powder Diffraction. Conference (EPDIC 7) (Eds.: R. Delhez, E.J. Mittenmeijer), Materials Science Forum, 2000, p. 118.
28. Amsterdam Density Functional (ADF) program, release 2002.03, Vrije Universiteit, Amsterdam (The Netherlands), 2002.
29. a) E. J. Baerends, D. E. Ellis, P. Ros, Chem. Phys. 1973, 2, 41;
30. b) E. J. Baerends, P. Ros, Int. J. Quantum Chem. 1978, S12, 169;
31. c) P. M. Boerrigter, G. te Velde, E. J. Baerends, Int. J. Quantum Chem. 1988, 33, 87;
32. d) G. te Velde, E. J. Baerends, J. Comput. Phys. 1992, 99, 84.
33. A. D. Becke, Phys. Rev. A 1988, 38, 3098.
34. a) J. P. Perdew. Phys. Rev. B 1986, 33, 8822:
35. b) J. P. Perdew. Phys. Rev. B 1986, 34, 7046.
36. S. H. Vosko, L. Wilk, M. Nusair. Can. J. Phys. 1980, 58, 1200.
37. L. Versluis, T. Ziegler, J. Chem. Phys. 1988, 88, 322.
38. E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1993, 99, 4597.
39. E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1994, 101, 9783.
40. E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1996, 105, 6505.