Electronic structure of a binuclear nickel complex of relevance to [NiFe] hydrogenase

Inorganic Chemistry

Volumn 47, Issue 24, 2008, Pages 11688-11697

  Van Gastel, Maurice ^a   Shaw, Jennifer L ^a,b   Blake, Alexander J ^b   Flores, Marco ^a   Schröder, Martin ^b   McMaster, Jonathan ^b   Lubitz, Wolfgang ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGENASE; IMINE; NICKEL; NICKEL IRON HYDROGENASE; NICKEL-IRON HYDROGENASE; NITROGEN; THIOL DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRONICS; METABOLISM; METHODOLOGY; PROTEIN CONFORMATION; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

CATALYSIS; CRYSTALLOGRAPHY, X-RAY; ELECTRONICS; HYDROGENASE; IMINES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NICKEL; NITROGEN; PROTEIN CONFORMATION; SULFHYDRYL COMPOUNDS; X-RAY DIFFRACTION;

EID: 60849115602     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic801383x     Document Type: Article

References (64)

1. Fontecilla-Camps, J. C.; Volbeda, A.; Cavazza, C.; Nicolet, Y. Chem. Rev. 2007, 107, 5411-5411.
2. Volbeda, A.; Charon, M.-H.; Hatchikian, E. C.; Frey, M.; Fontecilla-Camps, J. C. Nature 1995, 373, 580-587.
3. Higuchi, Y.; Yasuoka, N.; Kakudo, M.; Katsube, Y.; Yagi, T.; Inokuchi, H. J. Biol. Chem. 1987, 262, 2823-2825.
4. Fontecilla-Camps, J. C. J. Biol. Inorg. Chem. 1996, 1, 91-98.
5. Volbeda, A.; Fontecilla-Camps, J. C. Coord. Chem. Rev. 2005, 249, 1609-1619.
6. van Gastel, M.; Lubitz, W. In High Resolution EPR: Applications to metalloenzymes and metals in medicine; Hanson, G. R., Berliner, R. J., Eds.; Kluwer Academic: New York, 2008; pp 441-470.
7. Happe, R. P.; Roseboom, W.; Pierik, A. J.; Albracht, S. P. J.; Bagley, K. A. Nature 1997, 385, 126-126.
8. Bleijlevens, B.; van Broekhuizen, F.; De Lacey, A. L.; Roseboom, W.; Fernandez, V. M.; Albracht, S. P. J. J. Biol. Inorg. Chem. 2004, 9, 743-752.
9. De Lacey, A. L.; Hatchikian, E. C.; Volbeda, A.; Frey, M.; Fontecilla-Camps, J. C.; Fernandez, V. M. J. Am. Chem. Soc. 1997, 119, 7181-7189.
10. Fichtner, C.; Launch, C.; Bothe, E.; Lubitz, W. Biochemistry 2006, 45, 9706-9716.
11. Carepo, M.; Tierney, D. L.; Brondino, C. D.; Yang, T. C.; Pamplona, A.; Telser, J.; Moura, I.; Moura, J. J. G.; Hoffman, B. M. J. Am. Chem. Soc. 2002, 124, 281-286.
12. Volbeda, A.; Martin, L.; Cavazza, C.; Matho, M.; Faber, B. W.; Roseboom, W.; Albracht, S. P. J.; Garcin, E.; Rousset, M.; Fontecilla-Camps, J. C. J. Biol. Inorg. Chem. 2005, 10, 239-249.
13. Ogata, H.; Hirota, S.; Nakahara, A.; Komori, H.; Shibata, N.; Kato, T.; Kano, K.; Higuchi, Y. Structure 2005, 13, 1635-1642.
14. van Gastel, M.; Fichtner, C.; Neese, F.; Lubitz, W. Biochem. Soc. Trans. 2005, 33, 1-11.
15. van Gastel, M.; Stein, M.; Brecht, M.; Schröder, O.; Lendzian, F.; Bittl, R.; Ogata, H.; Higuchi, Y.; Lubitz, W. J. Biol. Inorg. Chem. 2006, 11, 41-51.
16. Halcrow, M. A.; Christou, G. Chem. Rev. 1994, 94, 2421-2481.
17. Huyett, J. E.; Carepo, M.; Pamplona, A.; Franco, R.; Moura, I.; Moura, J. J. G.; Hoffman, B. M. J. Am. Chem. Soc. 1997, 119, 9291-9292.
18. Evans, D. J.; Pickett, C. J. Chem. Soc. Rev. 2003, 32, 268-275.
19. Wang, Q.; Barclay, J. E.; Blake, A. J.; Davies, E. S.; Evans, D. J.; Marr, A. C.; McInnes, E. J. L.; McMaster, J.; Wilson, C.; Schröder, M. Chem. Eur. J. 2004, 10, 3384-3396.
20. Lubitz, W.; Reijerse, E.; van Gastel, M. Chem. Rev. 2007, 107, 4331-4365.
21. Stein, M.; Lubitz, W. Phys. Chem. Chem. Phys. 2001, 3, 2668-2675.
22. Bruschi, M.; Zampella, G.; Fantucci, P.; De Gioia, L. Coord. Chem. Rev. 2005, 249, 1620-1640.
23. Marr, A. C.; Spencer, D. J. E.; Schröder, M. Coord. Chem. Rev. 2001, 219, 1055-1074.
24. Bouwman, E.; Reedijk, J. Coord. Chem. Rev. 2005, 249, 1555-1581.
25. Li, Z. L.; Ohki, Y.; Tatsumi, K. J. Am. Chem. Soc. 2005, 127, 8950-8951.
26. Zhu, W. F.; Marr, A. C.; Wang, Q.; Neese, F.; Spencer, D. J. E.; Blake, A. J.; Cooke, P. A.; Wilson, C.; Schröder, M. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 18280-18285.
27. Stenson, P. A.; Marin-Becerra, A.; Wilson, C.; Blake, A. J.; McMaster, J.; Schröder, M. Chem. Commun. 2006, 317-319.
28. Green, K. N.; Jeffery, S. P.; Reibenspies, J. H.; Darensbourg, M. Y. J. Am. Chem. Soc. 2006, 128, 6493-6498.
29. Jeffery, S. P.; Singleton, M. L.; Reibenspies, J. H.; Darensbourg, M. Y. Inorg. Chem. 2007, 46, 179-185.
30. Rampersad, M. V.; Jeffery, S. P.; Golden, M. L.; Lee, J.; Reibenspies, J. H.; Darensbourg, D. J.; Darensbourg, M. Y. J. Am. Chem. Soc. 2005, 127, 17323-17334.
31. Matsumoto, T.; Nakaya, Y.; Itakura, N.; Tatsumi, K. J. Am. Chem. Soc. 2008, 130, 2458-2459.
32. Ogo, S.; Kabe, R.; Uehara, K.; Kure, B.; Nishimura, T.; Menon, S. C.; Harada, R.; Fukuzumi, S.; Higuchi, Y.; Ohhara, T.; Tamada, T.; Kuroki, R. Science 2007, 316, 585-587.
33. Mealli, C.; Rauchfuss, T. B. Angew. Chem., Int. Ed. 2007, 46, 8942-8944.
34. Justice, A. K.; Linck, R. C.; Rauchfuss, T. B.; Wilson, S. R. J. Am. Chem. Soc. 2004, 126, 13214-13215.
35. Sellmann, D.; Lauderbach, F.; Geipel, F.; Heinemann, F. W.; Moll, M. Angew. Chem., Int. Ed. 2004, 43, 3141-3144.
36. Perra, A.; Davies, E. S.; Hyde, J. R.; Wang, Q.; McMaster, J.; Schröder, M. Chem. Commun. 2006, 1103-1105.
37. Atkins, A. J.; Black, D.; Blake, A. J.; Marin-Becerra, A.; Parsons, S.; Ruiz-Ramirez, L.; Schröder, M. Chem. Commun. 1996, 457-464.
38. Atkins, A. J.; Blake, A. J.; Schröder, M. J. Chem. Soc. Chem. Comm. 1993, 1662-1665.
39. Branscombe, N. D. J.; Atkins, A. J.; Marin-Becerra, A.; McInnes, E. J. L.; Mabbs, F. E.; McMaster, J.; Schröder, M. Chem. Commun. 2003, 1098-1099.
40. Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Holder, A. J.; Hyde, T. I.; Schröder, M. J. Chem. Soc., Dalton Trans. 1992, 3427-3431.
41. Fox, S.; Wang, Y.; Silver, A.; Millar, M. J. Am. Chem. Soc. 1990, 112, 3218-3220.
42. Kruger, H. J.; Peng, G.; Holm, R. H. Inorg. Chem. 1991, 30, 734-742.
43. Brooker, S.; Croucher, P. D.; Roxburgh, F. M. J. Chem. Soc., Dalton Trans. 1996, 3031-3037.
44. Sheldrick, G. M. Acta Crystallogr., Sect. A 1990, 46, 467-473.
45. Sheldrick, G. M. SHELXL-97; Universtiy of Göttingen: Göttingen, Germany, 1997.
46. Allen, F. H.; Johnson, O.; Shields, G. P.; Smith, B. R.; Towler, M. J. Appl. Crystallogr. 2004, 37, 335-338.
47. Spek, A. L. J. Appl. Crystallogr. 2003, 36, 7-13.
48. van Gastel, M.; Coremans, J. W. A.; Jeuken, L. J. C.; Canters, G. W.; Groenen, E. J. J. J. Phys. Chem. A 1998, 102, 4462-4470.
49. Schweiger, A; Jeschke, G. Principles of Pulse Electron Paramagnetic Resonance; Oxford University Press: Oxford, 2001.
50. Flanagan, H. L.; Singel, D. J. J. Chem. Phys. 1987, 87, 5606-5616.
51. Neese, F. ORCA, An ab initio, Density Functional and Semiempirical program package, Version 2.5; University of Bonn, 2006.
52. Kutzelnigg, W.; Fleischer, U.; Schindler, M. NMR Basic Principles and Progress; Springer-Verlag: Heidelberg, 1991.
53. Neese, F. Inorg. Chim. Acta 2002, 337C, 181-192.
54. Wachters, A. J. J. Chem. Phys. 1970, 52, 1033-1036.
55. Garner, M.; Lewinski, K.; Pattek-Janczyk, A.; Reglinski, J.; Sieklucka, B.; Spicer, M. D.; Szaleniec, M. Dalton Trans. 2003, 1181-1185.
56. Kersting, B.; Siebert, D. Inorg. Chem. 1998, 37, 3820-3828.
57. Colligiani, A.; Guibe, L.; Haigh, P. J.; Lucken, E. A. C. Mol. Phys. 1968, 14, 89-97.
58. Biehl, R.; Lubitz, W.; Möbius, K.; Plato, M. J. Chem. Phys. 1977, 66, 2074-2078.
59. Neese, F. J. Chem. Phys. 2001, 115, 11080-11096.
60. Morton, J. R.; Preston, K. F. J. Chem. Phys. 1984, 81, 5775-5778.
61. Abragam, A.; Bleaney, B. Electron Paramagnetic Resonance of Transition Metal Ions; Oxford University Press: Oxford, 1970.
62. Clementi, E.; Raimondi, D. L. J. Chem. Phys. 1963, 38, 2686-2689.
63. Rosicky, F.; Mark, F. Theor. Chim. Acta 1979, 54, 35-51.
64. Stenson, P. A.; Board, A.; Marin-Becerra, A.; Blake, A. J.; Davies, E. S.; Wilson, C.; McMaster, J.; Schröder, M. Chem. Eur. J. 2008, 14, 2564-2576.