Experimental and theoretical investigation into the formation and reactivity of M(Cp)(CO) 2(CO 2) (M ) Mn or Re) in liquid and supercritical CO 2 and the effect of different CO 2 coordination modes on reaction rates with CO, H 2, and N 2

Organometallics

Volumn 28, Issue 11, 2009, Pages 3113-3122

  Yang, Jixin ^a,b   N'Guessan, Boka Robert ^a,b,c   Dedieu, Alain ^a,b,d   Grills, David C ^a,b   Sun, Xue Zhong ^a,b   George, Michael W ^a,b  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

^b UNIVERSITÉ DE STRASBOURG   (France)

^c UNIVERSITÉ FÉLIX HOUPHOUËT BOIGNY   (Côte d’Ivoire)

^d BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ACTIVATION ENTHALPIES; BINDING MODES; CO LIGANDS; COORDINATION MODES; DFT CALCULATION; ELECTROSTATIC ATTRACTIONS; FREQUENCY CALCULATIONS; IR BANDS; IR SPECTRUM; KINETIC DATA; METAL CENTERS; PARTIAL OXIDATIONS; RE COMPLEX; REACTION ENTHALPIES; STABILIZING INTERACTIONS; SUPER-CRITICAL; SUPERCRITICAL CO; THEORETICAL INVESTIGATIONS; TIME RESOLVED INFRARED SPECTROSCOPY; UV PHOTOLYSIS;

BINDING ENERGY; CHARGE TRANSFER; ENTHALPY; HEPTANE; INFRARED SPECTROSCOPY; ION EXCHANGE; KRYPTON; LIGANDS; LIQUIDS; MANGANESE; MANGANESE COMPOUNDS; MASS TRANSFER; PHOTOLYSIS; RATE CONSTANTS; RHENIUM COMPOUNDS; SPECTROSCOPIC ANALYSIS; SULFUR COMPOUNDS; XENON;

CARBON MONOXIDE;

EID: 66349087297     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om8010195     Document Type: Article

References (69)

1. Allen, S. D.; Byrne, C. M.; Coates, G. W. Feedstocks for the Future: Renewables for the Production of Chemicals and Materials; ACS Symp. Ser. 921; American Chemical Society: Washington, DC, 2006; pp 116-129.
2. Arakawa, H.; et al. Chem. Rev. 2001, 101, 953.
3. Hyde, J.; Leitner, W.; Poliakoff, M. In High Pressure Chemistry; Eldik,R.; Klärner, F.-G., Eds.; Wiley-VCH: Weinheim, 2002; p 369.
4. Matsui, K.; Kawanami, H.; Ikushima, Y.; Hayashi, H. Chem. Commun. 2003, 2502.
5. Oakes, R. S.; Clifford, A. A.; Rayner, C. M. J. Chem. Soc., Perkin Trans. 1 2001, 917.
6. Jessop, P. G.; Hsiao, Y.; Ikariya, T.; Noyori, R. J. Am. Chem. Soc. 1996, 118, 344.
7. Baiker, A. Chem. Rev. 1999, 99, 453.
8. Jessop, P. G.; Ikariya, T.; Noyori, R. Chem. Rev. 1999, 99, 475.
9. Mesiano, A. J.; Beckman, E. J.; Russell, A. J. Chem. Rev. 1999, 99, 623.
10. Leitner, W. Acc. Chem. Res. 2002, 35, 746.
11. Pandey, K. K. Coord. Chem. Rev. 1995, 140, 37.
12. Gibson, D. H. Chem. Rev. 1996, 96, 2063.
13. Leitner, W. Coord. Chem. Rev. 1996, 153, 257.
14. Aresta, M.; Nobile, C. F.; Alnano, V. G.; Fornie, E.; Manassero, M. J. Chem. Soc., Chem. Commun. 1975, 636.
15. Gambarotta, S.; Arena, F.; Floriani, C.; Zanazzi, P. F. J. Am. Chem. Soc. 1982, 104, 5082.
16. Calabrese, J. C.; Herskovitz, T.; Kinney, J. B. J. Am. Chem. Soc. 1983, 105, 5914.
17. Döhring, A.; Jolly, P. W.; Krüger, C.; Romão, M. J. Z. Naturforsch. 1985, 40B, 484.
18. Bristow, G. S.; Hitchcock, P. B.; Lappert, M. F. J. Chem. Soc., Chem. Commun. 1981, 1145.
19. Gambarotta, S.; Floriani, C.; Chiesi-Villa, A.; Guastini, C. J. Am. Chem. Soc. 1985, 107, 2985.
20. Alvarez, R.; Carmona, E.; Marín, J. M.; Poveda, M. L.; Gutiérrez- Puebla, E.; Monge, A. J. Am. Chem. Soc. 1986, 108, 2286.
21. Tanaka, H.; Nagao, H.; Peng, S.-M.; Tanaka, K. Organometallics 1992, 11, 1450.
22. Komiya, S.; Akita, M.; Kasuga, N.; Hirano, M.; Fukuoka, A. J. Chem. Soc., Chem. Commun. 1994, 1115.
23. Wang, T. F.; Hwu, C. C.; Tsai, C. W.; Lin, K. J. Organometallics 1997, 16, 3089.
24. Wang, T. F.; Hwu, C. C.; Wen, Y. S. J. Organomet. Chem. 2004, 689, 411.
25. Mascetti, J.; Tranquille, M. J. Phys. Chem. 1988, 92, 2177.
26. Castro-Rodriguez, I.; Nakai, H.; Zakharov, L. N.; Rheingold, A. L.; Meyer, K. Science 2004, 305, 1757.
27. Almond, M. J.; Downs, A. J.; Perutz, R. N. Inorg. Chem. 1985, 24, 275-281.
28. Pidun, U.; Frenking, G. Organometallics. 1995, 14, 5325.
29. Sun, X. Z.; George, M. W.; Kazarian, S. G.; Nikiforov, S. M.; Poliakoff, M. J. Am. Chem. Soc. 1996, 118, 10525.
30. Howdle, S. M.; Poliakoff, M. J. Chem. Soc., Chem. Commun. 1989, 1099.
31. Lee, P. D. PhD Thesis, University of Nottingham, 1996.
32. Howdle, S. M.; Grebenik, P.; Perutz, R. N.; Poliakoff, M. J. Chem. Soc., Chem. Commun. 1989, 1517.
33. Sun, X. Z.; Nikiforov, S. M.; Yang, J.; Colley, C. S.; George, M. W. Appl. Spectrosc. 2002, 56, 31.
34. George, M. W.; Poliakoff, M.; Turner, J. J. Analyst 1994, 119, 551.
35. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
36. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
37. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
38. Frisch, M. J.; et al. Gaussian 98; Gaussian Inc.:Pittsburgh, PA, 1998.
39. Hay, P. J. J. Chem. Phys. 1985, 82, 299.
40. Dunning, T. H.; Hay, P. J. In Modern Theoretical Chemistry; Plenum: New York, 1976; pp 1-28.
41. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
42. Andrae, D.; Haüssermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123.
43. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
44. Rest, A. J.; Sodeau, J. R.; Taylor, D. J. J. Chem. Soc., Dalton Trans. 1978, 651.
45. Creaven, B. S.; Dixon, A. J.; Kelly, J. M.; Long, C.; Poliakoff, M. Organometallics 1987, 6, 2600.
46. Grills, D. C.; Sun, X. Z.; Childs, G. I.; George, M. W. J. Phys. Chem. A 2000, 104, 4300.
47. Childs, G. I.; Colley, C. S.; Dyer, J.; Grills, D. C.; Sun, X. Z.; Yang, J. X.; George, M. W. J. Chem. Soc., Dalton Trans. 2000, 1901.
48. Sun, X. Z.; Grills, D. C.; Nikiforov, S. M.; Poliakoff, M.; George, M. W. J. Am. Chem. Soc. 1997, 119, 7521.
49. Grills, D. C.; George, M. W. Adv.. Inorg. Chem. 2001, 52, 113.
50. Ball, G. E.; Darwish, T. A.; Geftakis, S.; George, M. W.; Lawes, D. J.; Portius, P.; Rourke, J. P. Proc. Natl. Acad. Sci. 2005, 102, 1853.
51. Haward, M. T.; George, M. W.; Hamley, P.; Poliakoff, M. J. Chem. Soc., Chem. Commun. 1991, 1101.
52. George, M. W.; Haward, M. T.; Hamley, P.; Hughes, C.; Johnson, F. P. A.; Popov, V. K.; Poliakoff, M. J. Am. Chem. Soc. 1993, 115, 2286.
53. Sakaki, S.; Dedieu, A. Inorg. Chem. 1987, 26, 3278.
54. Schilling, B. E. R.; Hoffmann, R.; Lichtenberger, D. L. J. Am. Chem. Soc. 1979, 101, 585.
55. Yang, H.; Asplund, M. C.; Kotz, K. T.; Wilkens, M. J.; Frei, H.; Harris, C. B. J. Am. Chem. Soc. 1998, 120, 10154.
56. Full, J.; González, L.; Daniel, C. J. Phys. Chem. A 2001, 105, 184.
57. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
58. Zhou, M.; Andrews, L.; Bauschlicher, C. W., Jr. Chem. Rev. 2001, 101, 1931.
59. Carbonnière, P.; Barone, V. Chem. Phys. Lett. 2004, 399, 226.
60. Zheng, Y.; Wang, W.; Lin, J.; She, Y.; Fu, K.-J. Chem. Phys. Lett. 1993, 202, 148.
61. Li, Y.; Sztárray, Baer, T. J. Am. Chem. Soc. 2001, 123, 9388.
62. Burkey, T. J. J. Am. Chem. Soc. 1990, 112, 8329.
63. Klassen, J. K.; Selke, M.; Sorensen, A. A.; Yang, G. K. J. Am. Chem. Soc. 1990, 112, 1267.
64. -1 for Mn and Re, respectively).
65. -1, the difference being particularly well reproduced.
66. Walsh, E. F.; George, M. W.; Goff, S.; Nikiforov, S. M.; Popov, V. K.; Sun, X.-Z.; Poliakoff, M. J. Phys. Chem. 1996, 100, 19425.
67. 2 result from the balance between the two strong Re-H bonds that are formed and the strong H-H bond that is cleaved.
68. Butler, I. S.; Coville, N. J.; Cozak, D. J. Organomet. Chem. 1977, 133, 59.
69. Bitterwold, T. E.; Lott, K. A.; Rest, A. J.; Mascetti, J. J. Organomet. Chem. 1991, 419, 113.