Reaction products of W(CO)6 with formamidines; electronic structure of a W2(μ-CO)2 core with unsymmetric bridging carbonyls

Inorganic Chemistry

Volumn 43, Issue 22, 2004, Pages 6954-6964

  Cotton, F Albert ^a   Donahue, James P ^a,b   Hall, Michael B ^a   Murillo, Carlos A ^a   Villagrán, Dino ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

^b Tulane University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBENE; CARBON; CARBONYL DERIVATIVE; FORMAMIDINE; LIGAND; MOLYBDENUM; N,N' DI (3,5 DICHLOROPHENYL)FORMAMIDINATE; NITROGEN; TUNGSTEN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; LIGAND BINDING; REACTION ANALYSIS; SUPRAMOLECULAR CHEMISTRY; SYNTHESIS;

AMIDINES; CARBON; CRYSTALLOGRAPHY, X-RAY; ELECTROCHEMISTRY; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; OXYGEN; TUNGSTEN;

EID: 7244256013     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic049116c     Document Type: Article

References (69)

1. Cotton, F. A.; Wallon, R. A. Multiple between Metal Atoms; Oxford University Press: New York, 1993.
2. Bino, A.; Cotton, F. A.; Dori, Z.; Koch, S.; Küppers, H.; Millar, M.; Sekutowski, J. C. Inorg. Chem. 1978, 17, 3245.
3. (a) Sattelberger, A. P.; McLauglin, K. W.; Huffman, J. C. J. Am. Chem. Soc. 1981, 103, 2280.
4. (b) Santure, D. J.; Sattelberger, A. P. Inorg. Synth. 1999, 26, 219.
5. Cotton, F. A.; Mott, G. N.; Schrock, R. R.; Sturgeoff, L. G. J. Am. Chem. Soc. 1982, 104, 6781.
6. (a) Cotton, F. A.; Felthouse, T. R.; Lay, D. G. J. Am. Chem. Soc. 1980, 102, 1431.
7. (b) Cotton, F. A.; Felthouse, T. R. Inorg. Chem. 1981, 20, 3880.
8. (c) Schrock, R. R.; Sturgeoff, L. G.; Sharp, P. R. Inorg. Chem. 1983, 22, 2801.
9. (d) Canich, J. A. M.; Cotton, F. A. Inorg. Chim. Acta 1988, 142, 69.
10. (e) Fryzuk, M. D.; Kreiter, C. G.; Sheldrick, W. S. Chem. Ber. 1989, 122, 851.
11. (f) Cotton, F. A.; Eglin, J. L. Inorg. Chem. 1993, 32, 681.
12. (g) Cotton, F. A.; Dikarev, E. V.; Gu, J.; Herrero, S.; Modec, B. Inorg. Chem. 2000, 39, 5407.
13. (a) Cotton, F. A.; Fanwick, P. E.; Niswander, R. H.; Sekutowski, J. C. J. Am. Chem. Soc. 1978, 100, 4725.
14. (b) Cotton, F. A.; Ilsley, W. H.; Kaim, W. Inorg. Chem. 1980, 19, 1453.
15. (c) Cotton, F. A.; Niswander, R. H.; Sekutowski, J. C. Inorg. Chem. 1979, 18, 1152.
16. (d) Kim, J. C.; Goedken, V. L.; Lee, B. M. Polyhedron 1996, 15, 57.
17. de Roode, W. H.; Vrieze, K.; Koerner von Gustorf, E. A.; Ritter, A. J. Organomet. Chem. 1977, 135, 183.
18. Cotton, F. A.; Gruhn, N. E.; Gu, J.; Huang, P.; Lichtenberger, D. L.; Murillo, C. A.; Van Dorn, L. O.; Wilkinson, C. C. Science 2002, 298, 1971.
19. Lin, C.; Protasiewicz, J. D.; Smith, E. T.; Ren, T. Inorg. Chem. 1996, 35, 6422.
20. SMART for Windows NT, Version 5.618; Bruker Analytical X-ray Systems: Madison, WI, 2000.
21. SAINT+ for NT, Version 6.28A; Bruker Analytical X-ray Systems: Madison, WI, 2001.
22. Sheldrick, G. M. SHELX-97 Programs for Crystal Structure Analysis; Institüt für Anorganische Chemie der Universität: Göttingen, Germany, 1998.
23. (a) Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864.
24. (b) Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: Oxford, 1989.
25. (a) Becke, A. D. Phys. Rev. A 1988, 38, 3098.
26. (b) Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
27. (c) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
28. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
29. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
30. Dunning, T. H.; Hay, P. J. In Modern Theoretical Chemistry. 3. Methods of Electronic Structure Theory, Schaefer, H. F., III, Ed.; Plenum Press: New York, 1977; pp 1-28.
31. (a) Wadt, W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284.
32. (b) Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299.
33. Casida, M. E.; Jamorski, C; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
34. 6 from subliming into the reflux condenser and forming a potentially dangerous plug through which excess pressure of CO gas cannot be released.
35. 183W. This doublet is very slightly offset from the singlet, apparently due to a small isotope shift effect. See: Raynes, W. T. Nuclear Shielding. In Nuclear Magnetic Resonance; Harris, R. H., Ed.; Alden Press: Oxford, 1972; pp 42-43.
36. These values represent the average of two different analyses performed upon the same sample.
37. (a) Carlson-Day, K. M.; Eglin, J. L.; Smith, L. T.; Staples, R. J. Inorg. Chem. 1999, 38, 2216.
38. (b) Eglin, J. L.; Smith, L. T.; Staples, R. J. Inorg. Chim. Acta 2003, 351, 217.
39. Cotton, F. A.; Daniels, L. M.; Ren, T. Inorg. Chem. 1999, 38, 2221.
40. Crabtree, R. H.; Lavin, M. Inorg. Chem. 1986, 25, 805.
41. (a) Schagen, J. D.; Schenk, H. Cryst. Struct. Commun. 1978, 7, 223.
42. (b) de Roode, W. H.; Vrieze, K. J. Organomet. Chem. 1978, 145, 207.
43. (a) Yamamoto, Y. Coord. Chem. Rev. 1980, 32, 193.
44. (b) Chisholm, M. H.; Clark, D. L.; Ho, D.; Huffman, J. C. Organometallics 1987, 6, 1532.
45. See for example: Cotton, F. A.; Daniels, L. M.; Matonic, J. H.; Wang, X.; Murillo, C. A. Polyhedron 1997, 16, 1177 and references therein.
46. Cotton, F. A.; Ren, T. J. Am. Chem. Soc. 1992, 114, 2237.
47. 3, Z = 4, R1 = 0.043, wR2 = 0.117. Additional crystallographic data are provided as Supporting Information.
48. Cotton, F. A.; Donahue, J. P.; Murillo, C. A. J. Am. Chem. Soc. 2003, 125, 5436.
49. Tucci, G. C.; Donahue, J. P.; Holm, R. H. Inorg. Chem. 1998, 37, 1602.
50. Cotton, F. A. Polyhedron 1987, 6, 667.
51. (a) Cotton, F. A.; Donahue, J. P.; Murillo, C. A.; Pérez, L. M. J. Am. Chem. Soc. 2003, 125, 5486.
52. (b) Cotton, F. A.; Donahue, J. P.; Murillo, C. A.; Pérez, L. M.; Yu, R. J. Am. Chem. Soc. 2003, 125, 8900.
53. (a) Carriedo, G. A.; Howard, J. A. K.; Jeffery, J. C.; Sneller, K.; Stone, F. G. A.; Weerasuria, A. M. M. J. Chem. Soc., Dalton Trans. 1990, 953.
54. (b) Alvarez, M. A.; García, M. E.; Riera, V.; Ruiz, M. A.; Falvello, L. R.; Bois, C. Organometallics 1997, 16, 354.
55. Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemistry; Wiley: New York, 1988; p 1034.
56. (a) Morris-Sherwood, B. J.; Powell, C. B.; Hall, M. B. J. Am. Chem. Soc. 1984, 106, 5079.
57. (b) Sargent, A. L.; Hall, M. B. J. Am. Chem. Soc. 1989, 111, 1563.
58. (c) Sargent, A. L.; Hall, M. B. Polyhedron 1990, 9, 1799.
59. Cotton, F. A.; Daniels, L. M.; Murillo, C. A.; Slaton, J. G. J. Am. Chem. Soc. 2002, 124, 2878.
60. See for example: (a) Chisholm, M. H.; Cotton, F. A.; Extine, M. W.; Murillo, C. A. Inorg. Chem. 1978, 17, 696.
61. (b) Bino, A.; Cotton, F. A.; Don, Z.; Sekutowski, J. C. Inorg. Chem. 1978, 17, 2946.
62. See for example: (a) Chisholm, M. H.; Cotton, F. A.; Extine, M.; Stults, B. R. J. Am. Chem. Soc. 1976, 98, 4477.
63. (b) Chisholm, M. H.; Cotton, F. A.; Extine, M.; Millar, M.; Stults, B. R. Inorg. Chem. 1976, 15, 2244.
64. (c) Chisholm, M. H.; Cotton, F. A.; Extine, M.; Stults, B. R. Inorg. Chem. 1976, 15, 2252.
65. (d) Blatchford, T. P.; Chisholm, M. H.; Huffman, J. C. Inorg. Chem. 1987, 26, 1920.
66. (e) Chisholm, M. H.; Clark, D. L.; Foiling, K.; Huffman, J. C.; Hampden-Smith, M. J. Am. Chem. Soc. 1987, 109, 7750.
67. See for example: (a) Anderson, L. B.; Cotton, F. A.; DeMarco, D.; Fang, A.; Ilsley, W. H.; Kolthammer, B. W. S.; Walton, R. A. J. Am. Chem. Soc. 1981, 103, 5078.
68. (b) Cotton, F. A.; Falvello, L. R.; Fredrich, M. F.; DeMarco, D.; Walton, R. A. J. Am. Chem. Soc. 1983, 105, 3088.
69. Cotton, F. A.; Matonic, J. H.; Murillo, C. A. J. Am. Chem. Soc. 1998, 120, 6047.