Chemistry of unsaturated group 6 metal complexes with bridging hydroxy- and methoxycarbyne ligands. 2. Synthesis, structure, and bonding of 32- and 34-electron complexes

Organometallics

Volumn 26, Issue 24, 2007, Pages 5912-5921

  García, M Esther ^a   García Vivó, Daniel ^a   Ruiz, Miguel A ^a   Alvarez, Santiago ^b   Aullón, Gabriel ^b  

^a UNIVERSITY OF OVIEDO   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; DERIVATIVES; INTERMETALLICS; MOLECULAR ORBITALS;

CARBOXYCARBYNE COMPLEX; COORDINATION MODE; UNSATURATED GROUPS;

LIGANDS;

EID: 36749032138     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om700735g     Document Type: Article

References (70)

1. García, M. E.; García-Vivó, D.; Ruiz, M. A.; Alvarez, S.; Aullón, G. Organometallics 2007, 26, 4930.
2. (a) Koch, W.; Holthausen, M. C. A Chemist's Guide to Density Functional Theory, 2nd ed.; Wiley-VCH: Weinheim, Germany, 2002.
3. (b) Ziegler, T. Chem. Rev. 1991, 91, 651.
4. (a) Alvarez, C. M.; Alvarez, M. A.; García, M. E.; García-Vivó, D.; Ruiz, M. A. Organometallics 2005, 24, 4122.
5. (b) Alvarez, M. A.; García, M. E.; Riera, V.; Ruiz, M. A.; Robert, F. Organometallics 2002, 21, 1177.
6. (c) Alvarez, M. A.; García, M. E.; Riera, V.; Ruiz, M. A. Organometallics 1999, 18, 634.
7. (d) Alvarez, M. A.; Bois, C.; García, M. E.; Riera, V.; Ruiz, M. A. Angew. Chem., Int. Ed. Engl. 1996, 35, 102.
8. (e) García, M. E.; Riera, V.; Rueda, M. T.; Ruiz, M. A.; Halut, S. J. Am. Chem. Soc. 1999, 121, 1960.
9. (a) Maitlis, P. M. J. Mol. Catal. A 2003, 204-205, 55.
10. (b) Campbell, I. M. Catalysis at Surfaces; Chapman and Hall: New York, 1988.
11. García, M. E.; Melón, S.; Ramos, A.; Riera, V.; Ruiz, M. A.; Belletti D.; Graiff, C.; Tiripicchio, A. Organometallics 2003, 22, 1983.
12. (a) Coliman, J. P.; Boulatov, R. Angew. Chem., Int. Ed. 2002, 41, 3948.
13. (b) Winter, M. J. Adv. Organomet. Chem. 1989, 29, 101.
14. (c) Curtis, M. D. Polyhedron 1987, 6, 759.
15. (d) Cotton, F. A.; Walton, R. A. Multiple Bonds Between Metal Atoms, 2nd ed.: Oxford University Press: Oxford, UK, 1993.
16. García, M. E.; Riera, V.; Ruiz, M. A.; Rueda, M. T.; Sáez, D. Organometallics 2002, 21, 5515.
17. (a) Heck, J. J. Organomet. Chem. 1986, 311, C5.
18. (b) Abriel, W.; Baum, G.; Burdof, H.; Heck, J. Z. Naturforsch. 1991, 46b, 841.
19. (a) Hersh, W. H.; Fong, R. H. Organometallics 2005, 24, 4179.
20. (b) Peters, J. C.; Odon, A. L.; Cummins, C. C. Chem. Commun. 1997, 1995.
21. (c) Bronk, B. S.; Protasiewicz, J. D.; Pence, L. E.; Lippard, S. J. Organometallics 1995, 14, 2177.
22. (d) Seyferth, D.; Ruschke, D. P.; Davis, W. H. Organometallics 1994, 13, 4695.
23. (e) Chi, Y.; Chuang, S. H.; Chen, B.-F.; Peng, S.-M.; Lee, G.-H. J. Chem. Soc., Dalton Trans. 1990, 3033.
24. (f) Friedman, A. E.; Ford, P. C. J. Am. Chem. Soc. 1989, 111, 551.
25. (g) Keister, J. B. Polyhedron 1988, 7, 847.
26. (h) Friedman, A. E.; Ford, P. C. J. Am. Chem. Soc. 1986, 108, 7851.
27. (i) Farrugia, L. J.; Miles, A. D.; Stone, F. G. A. J. Chem. Soc., Dalton Trans. 1985, 2437.
28. (j) Beanan, L. R.; Keister, J. B. Organometallics 1985, 4, 1713.
29. (k) Nuel, D.; Dahan, F.; Mathieu, R. J. Am. Chem. Soc. 1985, 107, 1658.
30. (l) Shapley, J. R.; Yeh, W.-Y.; Churchill, M. R.; Li, Y.-J. Organometallics 1985, 4, 1898.
31. (m) Green, M.; Mead, K. A.; Mills, R. M.; Salter, I. D.; Stone, F. G. A.; Woodward, P. J. J. Chem. Soc., Chem. Commun. 1982, 51.
32. Stone, K. C.; White, P. S.; Templeton, J. L. J. Organomet. Chem. 2003, 684, 13.
33. García, M. E.; García-Vivó. D.; Ruiz, M. A. Unpublished results.
34. Braterman, P. S. Metal Carbonyl Spectra; Academic Press: London, UK, 1975.
35. For examples of fluxional behavior, see for example: (a) Bavaro, L. M.; Keister, J. B. J. Organomet. Chem. 1985, 287, 357.
36. (b) Keister, J. B.; Payne, M. W.; Muscatella, M. J. Organometallics 1983, 2, 219.
37. (c) Johnson, B. F. G.; Lewis, J.; Orpen, A. G.; Raithby, P. R.; Süss, G. J. Organomet. Chem. 1979, 173, 187.
38. (d) Keister, J. B. J. Chem. Soc., Chem. Commun. 1979, 214.
39. (e) Gavens, P. D.; Mays, M. J. J. Organomet. Chem. 1978, 162, 389.
40. (a) Bader, R. F. W. Atoms in Molecules-A Quantum Theory; Oxford University Press: Oxford, UK, 1990.
41. (b) Bader, R. F. W. Chem. Rev. 1991, 91, 893.
42. Cramer, C. J. Essentials of Computational Chemistry, 2nd ed.; Wiley: Chichester, UK, 2004.
43. (a) Huheey, J. E.; Keiter, E. A.; Keiter, R. L. Inorganic Chemistry: Principles of Structure and Reactivity, 4th ed.; HarperCollins College Publishers: New York, 1993.
44. (b) Allen, F. H.; Kennard, O.; Watson, D. G.; Brammer, L.; Orpen, G.; Taylor, R. J. Chem. Soc., Perkin Trans. 2 1987, S1.
45. Yu, L.; Srinivas, G. N.; Schwartz, M. J. Mol. Struct. (THEOCHEM) 2003, 625, 215.
46. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833.
47. Mulliken population analyses fail to give a useful and reliable characterization of the charge distribution in many cases, especially when highly ionic compounds and diffuse basis functions are involved. Charges calculated according to the Natural Population Analysis (NPA) do not show these deficiencies and are more independent of the basis set: (a) Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
48. (b) Reed, A. E.; Curtis, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
49. Ushio, J.; Nakatsuji, H.; Yonezawa, T. J. Am. Chem. Soc. 1984, 106, 5892.
50. Aitchison, A.; Farrugia, L. J. Organometallics 1987, 6, 819.
51. Shaik, S.; Hoffmann, R.; Fiesel, C. R.; Summerville, R. H. J. Am. Chem. Soc. 1980, 102, 4555.
52. Palacios, A. A.; Aullón, G.; Alemany, P.; Alvarez, S. Inorg. Chem. 2000, 39, 3166.
53. Macchi, P.; Sironi, A. Coord. Chem. Rev. 2003, 238-239, 383.
54. Low, A. A.; Kunze, K. L.; MacDougall, P. J.; Hall, M. B. Inorg. Chem. 1991, 30, 1079.
55. Bo, C.; Sarasa, J. P.; Poblet, J. M. J. Phys. Chem. 1993, 97, 6362.
56. Phillips, A.; Ienco, A.; Reinhold, J.; Böttcher, H.-C.; Mealli, C. Chem. Eur. J. 2006, 12, 4691.
57. Gervasio, G.; Bianchi, R.; Marabello, D. Chem. Phys. Lett. 2004, 387, 481 and references cited therein.
58. Vidal, I.; Melchor, S.; Dobado, J. A. J. Phys. Chem. 2005, 109, 7500.
59. Amarego, W. L. F.; Chai, C. Purification of Laboratory Chemicals, 5th ed.; Butterworth-Heinemann: Oxford, UK, 2003.
60. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision B.02; Gaussian, Inc.: Wallingford, CT, 2004.
61. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
62. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
63. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299.
64. Höllwarth, A.; Böhme, M.; Dapprich, S.; Ehlers, A. W.; Gobbi, A.; Jonas, V.; Köhler, K. F.; Stegman, R.; Veldkamp, A.; Frenking, G. Chem. Phys. Lett. 1993, 208, 237.
65. (a) Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213.
66. (b) Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081.
67. (c) Petersson, G. A.; Bennett, A.; Tensfeldt, T. G.; Al-Laham, M. A.; Shirley, W. A.; Mantzaris, J. J. Chem. Phys. 1988, 89, 2193.
68. Portmann, S.; Lüthi, H. P. MOLEKEL: An Interactive Molecular Graphics Tool. CHIMIA 2000, 54, 766.
69. Andrae, D.; Haeussermann, U.; DoIg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123.
70. Ortiz, J. C.; Bo, C. Xaim; Departamento de Química Física e Inorgánica, Universidad Rovira i Virgili: Tarragona, Spain, 1998.