Application of a universal force field to mixed Fe/Mo-S/Se cubane and heterocubane clusters. 2. Substitution of iron by molybdenum in Fe 4(S/Se)4 clusters with terminal halide and thiolate ligands

Inorganic Chemistry

Volumn 43, Issue 16, 2004, Pages 5011-5020

  Kern, Axel ^a   Nǎther, Christian ^a   Tuczek, Felix ^a  

^a UNIVERSITY OF KIEL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BROMIDE; CHLORIDE; CUBANE DERIVATIVE; HALIDE; IODIDE; IRON; LIGAND; MOLYBDENUM; SELENIUM; SULFUR;

ARTICLE; CHEMICAL ANALYSIS; FORCE; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

EID: 3843054592     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic030346l     Document Type: Article

References (43)

1. (a) Spiro, T. G.; Czernuszewicz, R. S.; Han, S. Biological Applications of Raman Spectroscopy; Spiro, T. G., Ed.; John Wiley & Sons: New York, 1988; Chapter 12.
2. (b) Czernuszewicz, R. S.; Kilpatrick, L. K.; Koch, S. A.; Spiro, T. G. J. Am. Chem. Soc. 1994, 116, 7134-7141.
3. (c) Kilpatrick, L. K.; Kennedy, M. C.; Beinert, H.; Czernuszewicz, R. S.; Qiu, D.; Spiro, T. G. J. Am. Chem. Soc. 1994, 116, 4053-4061.
4. (d) Han, S.; Czernuszewicz, R. S.; Kimura, T.; Adams, M. W. W.; Spiro, T. G. J. Am. Chem. Soc. 1989, 111, 3504-3511.
5. (e) Han, S.; Czernuszewicz, R. S.; Spiro, T. G. J. Am. Chem. Soc. 1989, 111, 3496-3505.
6. (f) Yachandra, K. V.; Hare, J.; Gewirth, A.; Czernuszewicz, R. S.; Kimura, T.; Holm, R. H.; Spiro, T. G. J. Am. Chem. Soc. 1983, 105, 6462-6468.
7. (g) Yachandra, K. V.; Hare, J.; Moura, I.; Spiro, T. G. J. Am. Chem. Soc. 1983, 105, 6455-6461.
8. (h) Backes, G.; Mino, Y.; Loehr, T. M.; Meyer, T. E.; Cusanovich, M. A.; Sweeney, W. V.; Adman, E. T.; Sanders-Loehr, J. J. Am. Chem. Soc. 1991, 113, 2055-2064.
9. (i) Agar, J. N.; Zheng, L.; Cash, V. L.; Dean, D. R.; Johnson, M. K. J. Am. Chem. Soc. 2000, 122, 2136-2137.
10. (a) Zhang, Y.; Holm, R. H. J. Am. Chem. Soc. 2003, 125, 3910-3920.
11. (b) Zhang, Y.; Zuo, J.-L.; Zhou, H.-C.; Holm, R. H. J. Am. Chem. Soc. 2002, 124, 14292-14293.
12. (c) Zuo, J.-L.; Zhou, H.-C.; Holm, R. H. Inorg. Chem. 2003, 42, 4624-4631.
13. (d) Ohki, Y.; Sunada, Y.; Honda, M.; Katada, M.; Tatsumi, K. J. Am. Chem. Soc. 2003, 125, 4052-4053.
14. (e) Coucouvanis, D.; Han, J.; Moon, N. J. Am. Chem. Soc. 2002, 124, 216-224.
15. (f) Han, J.; Coucouvanis, D. Inorg. Chem. 2002, 41, 2738-2746.
16. Czernuszewicz, R. S.; Macor, K. A.; Johnson, M. K.: Gewirth, A.; Spiro, T. G. J. Am. Chem. Soc. 1987, 109, 7178-7187.
17. (a) Palermo, R. E.; Holm, R. H. J. Am. Chem. Soc. 1983, 105, 4310-4318.
18. (b) Palermo, R. E.; Singh, R.; Bashkin, J. K.; Holm, R. H. J. Am. Chem. Soc. 1984, 106, 2600-2612.
19. (c) Wolff, T. E.; Berg, J. M.; Holm, R. H. Inorg. Chem. 1981, 20, 174-180.
20. (d) Huang, J.; Goh, C.; Holm, R. H. Inorg. Chem. 1997, 36, 356-361.
21. (e) Osterloh, F.; Segal, B. M.; Achim, C.; Holm, R. H. Inorg. Chem. 2000, 39, 980-989.
22. (f) Zhang, Y.-P.; Bashkin, J. K.; Holm, R. H. Inorg. Chem. 1987, 26, 694-702.
23. (g) Demadis, K. D.; Coucouvanis, D. Inorg. Chem. 1995, 34, 436-448.
24. (h) Holm, R. H.; Simhon, E. D. In Molybdenum Enzymes; Spiro, T. G., Ed.; John Wiley & Sons: New York, 1985; pp 1-88.
25. (i) Demadis, K. D.; Malinak, S. M.; Coucouvanis, D. Inorg. Chem. 1996, 35, 4038-4046.
26. (j) Fomitchev, D. V.; McLauchlan, C. C.; Holm, R. H. Inorg. Chem. 2002, 41, 958-966.
27. (k) Laughlin, L. J.; Coucouvanis, D. J. Am. Chem. Soc. 1996, 118, 3118-3125.
28. (l) Demadis, K. D.; Coucouvanis, D. Inorg. Chem. 1995, 34, 3658-3666.
29. (m) Coucouvanis, D. Acc. Chem. Res. 1991, 24, 1.
30. (n) Coucouvanis, D. In Molybdenum Enzymes, Cofactors and Model Systems; Stiefel, E. I., Coucouvanis, D., Newton, W. E., Eds.; American Chemical Society: Washington, DC, 1993; pp 304-331.
31. Einsle, O.; Tezcan, F. A.; Andrade, S. L. A.; Schmid, B.; Yoshida, M.; Howard, J. B.; Rees, D. C. Science 2002, 297, 1696-1700 and references cited therein.
32. (a) Aizman, A.; Case, D. A. J. Am. Chem. Soc. 1982, 104, 3269-3279.
33. (b) Noodleman, L.; Norman, J. G.; Osborne, J. H.; Aizman, A.; Case, D. A. J. Am. Chem. Soc. 1985, 107, 3418-3426.
34. Wong, G. B.; Bobrick, M. A.; Holm, R. H. Morg. Chem. 1978, 17, 578-584.
35. (a) Sundius, T. QCPE No. 604, MOLVIB; Indiana University: Indiana 1991. Modified: Bublitz, D. Ph.D. Dissertation, Universität Kiel, 1995.
36. (b) Sundius, T. J. Mol. Struct. 1990, 218, 321-326.
37. (c) Sundius, T. Commentat. Phys.-Math. 1977, 47, 1-66.
38. 4: (a) Bobrick, M. A.; Hodgson, K. O.; Holm, R. H. Inorg. Chem. 1977, 16, 1851-1858.
39. (b) Müller, A.; Schladerbeck, N. H.; Bogge, H. Chimia 1985, 39, 24.
40. (c) Müller, A.; Schladerbeck, N. H.; Krickemeyer, E.; Bögge, H.; Schmitz, K.; Bill, E.; Trautwein, A. X. Z. Anorg. Allg. Chem. 1989, 570, 7-36.
41. (d) Pohl, S.; Saak, W. Z. Naturforsch., B: Chem. Sci. 1988, 43, 457.
42. (e) Cen, W.; Liu, H. Jiegou Huaxue 1986, 5, 203.
43. (f) Rutchik, S.; Kim, S.; Walters, M. A. Inorg. Chem. 1988, 27, 1513-1516.