Theoretical study on the transition-metal oxoboryl complex: M-BO bonding nature, mechanism of the formation reaction, and prediction of a new oxoboryl complex

Inorganic Chemistry

Volumn 51, Issue 8, 2012, Pages 4597-4605

  Zeng, Guixiang ^a   Sakaki, Shigeyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84859800977     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic202499u     Document Type: Article

References (66)

1. Fischer, R. C.; Power, P. P. Chem. Rev. 2010, 110, 3877 and references therein
2. Jutzi, P. Angew. Chem., Int. Ed. Engl. 1975, 14, 232
3. Guseln'ikov, L. E.; Nametkin, N. S. Chem. Rev. 1979, 79, 529
4. Kuchta, M. C.; Parkin, G. Coord. Chem. Rev. 1998, 176, 323
5. Norman, N. C. Polyhedron 1993, 12, 2431
6. West, R.; Fink, M. J.; Michl, J. Science 1981, 214, 1343
7. Sekiguchi, A.; Kinjo, R.; Ichinohe, M. Science 2004, 105, 1755
8. Yoshifuji, M.; Shima, I.; Inamoto, N.; Hirotsu, K.; Higuchi, T. J. Am. Chem. Soc. 1981, 103, 4587
9. Tokitoh, N.; Arai, Y.; Okazaki, R.; Nagase, S. Science 1997, 277, 78
10. Tokitoh, N.; Arai, Y; Sasamori, T.; Okazaki, R.; Shigeru Nagase, S.; Uekusa, H.; Ohashi, Y. J. Am. Chem. Soc. 1998, 120, 433
11. Cowley, A. H.; Lash, J. G.; Norman, N. C.; Pakulski, M. J. Am. Chem. Soc. 1983, 105, 5506
12. Pohl, S.; Niecke, E.; Krebs, B. Angew. Chem., Int. Ed. Engl. 1975, 14, 261
13. Seppelt, K. Angew. Chem., Int. Ed. Engl. 1991, 30, 361
14. Fleischer, R.; Stalke, D. Coord. Chem. Rev. 1998, 176, 431 and references cited therein
15. Scheschkewitz, D. Angew. Chem., Int. Ed. 2008, 47, 1995
16. Eisch, J. J. Adv. Organomet. Chem. 1996, 39, 355
17. Berndt, A. Angew. Chem., Int. Ed. Engl. 1993, 32, 985
18. Niedenzu, K.; Dawson, J. W. Boron-Nitrogen Compounds; Springer: Berlin, 1965.
19. Paetzold, P. Adv. Inorg. Chem. 1987, 31, 123
20. Nöth, H. Angew. Chem., Int. Ed. Engl. 1988, 27, 1603
21. Berndt, A.; Klusik, H. Angew. Chem., Int. Ed. Engl. 1981, 20, 870
22. Petrie, M. A.; Shoner, S. C.; Dias, H. V. R.; Power, P. P. Angew. Chem., Int. Ed. Engl. 1990, 29, 1033
23. Moezzi, A.; Bartlett, R. A.; Power, P. P. Angew. Chem., Int. Ed. Engl. 1992, 31, 8
24. Moezzi, A.; Olmstead, M. M.; Power, P. P. J. Am. Chem. Soc. 1992, 114, 2715
25. Power, P. P. Inorg. Chim. Acta 1992, 198-200, 443
26. Nöth, H.; Knizek, J.; Ponikwar, W. Eur. J. Inorg. Chem. 1999, 1931
27. Wang, Y.; Quillian, B.; Wei, P.; Wannere, C. S.; Xie, Y.; King, R. B.; Schaefer, H. F., III; Schleyer, P. v. R.; Robinson, G. H. J. Am. Chem. Soc. 2007, 129, 12412
28. Kaufmann, E.; Schleyer, P. v. R. Inorg. Chem. 1988, 27, 3987
29. Zhou, M.; Tsumori, N.; Li, Z.; Fan, K.; Andrews, L.; Xu, Q. J. Am. Chem. Soc. 2002, 124, 12936
30. Ducati, L. C.; Takagi, N.; Frenking, G. J. Phys. Chem. A 2009, 113, 11693
31. Kinney, C. R.; Pontz, D. F. J. Am. Chem. Soc. 1936, 58, 197
32. Vidovic, D.; Moore, J. A.; Jones, J. N.; Cowley, A. H. J. Am. Chem. Soc. 2005, 127, 4566
33. Braunschweig, H.; Radacki, K.; Schneider, A. Science 2010, 328, 345
34. Braunschweig, H.; Radacki, K.; Schneider, A. Chem. Commun. 2010, 46, 6473
35. Braunschweig, H.; Radacki, K.; Schneider, A. Angew. Chem., Int. Ed. 2010, 49, 5993
36. Braunschweig, H.; Radacki, K.; Rais, D.; Uttinger, K. Angew. Chem., Int. Ed. 2006, 45, 162
37. Braunschweig, H.; Kupfer, T.; Radacki, K.; Schneider, A.; Seeler, F.; Uttinger, K.; Wu, H. J. Am. Chem. Soc. 2008, 130, 7974
38. Ehlers, A. W.; Baerends, E. J.; Bickelhaupt, F. M.; Radius, U. Chem.-Eur. J. 1998, 4, 210
39. Gong, X.; Li, Q.; Xie, Y.; King, R. B.; Schaefer, H. F., III. Inorg. Chem. 2010, 49, 10820
40. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
41. Becke, A. D. Phys. Rev. A 1988, A38, 3098
42. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
43. Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200
44. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299
45. Couty, M.; Hall, M. B. J. Comput. Chem. 1996, 17, 1359
46. Ehlers, A. W.; Böhme, D. S.; Gobbi, A.; Höllwarth, A.; Jonas, V.; Khler, K. F.; Stegmann, R.; Veldkamp, A.; Frenking, G. Chem. Phys. Lett. 1993, 208, 111
47. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650
48. Andrae, D.; Haeussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123
49. Gonzalez, C.; Schlegel, H. B. J. Chem. Phys. 1989, 90, 2154
50. Tsukamoto, S.; Sakaki, S. J. Phys. Chem. A 2011, 115, 8520
51. Fukui, K. Acc. Chem. Res. 1981, 14, 363
52. Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027
53. Scalmani, G.; Frisch, M. J. Abs. Pap. Am. Chem. Soc. 2009, 238, 342
54. Ishikawa, A.; Nakao, Y.; Sato, H.; Sakaki, S. Inorg. Chem. 2009, 48, 8154
55. Zeng, G.; Sakaki, S. Inorg. Chem. 2011, 50, 5290
56. Hashimoto, H.; Fukuda, T.; Tobita, H.; Ray, M.; Sakaki, S. Angew. Chem., Int. Ed. 2012, in press.
57. Mammen, M.; Shakhnovich, E. I.; Deutch, J. M.; Whitesides, G. M. J. Org. Chem. 1998, 63, 3821
58. Frisch, M. J.; Gaussian 09, revision A.01; Gaussian, Inc.: Wallingford, CT, 2009.
59. Baba, H.; Suzuki, S.; Takemura, T. J. Chem. Phys. 1969, 50, 2078
60. Kato, S.; Yamabe, S.; Fukui, K. J. Chem. Phys. 1974, 60, 572
61. Dapprich, S.; Frenking, G. J. Phys. Chem. 1995, 99, 9352
62. Ochi, N.; Nakao, Y.; Sato, H.; Sakaki, S. J. Am. Chem. Soc. 2007, 129, 8615
63. Ochi, N.; Nakao, Y.; Sato, H.; Sakaki, S. J. Phys. Chem. A 2010, 114, 659
64. Sakaba, H.; Oike, H.; Kawai, M.; Takami, M.; Kabuto, C.; Ray, M.; Nakao, Y.; Sato, H.; Sakaki, S. Organometallics 2011, 30, 4515
65. Goldman, A. S.; Krogh-Jespersen, K. J. Am. Chem. Soc. 1996, 118, 12159
66. Lupinetti, A. J.; Fau, S.; Frenking, G.; Strauss, S. H. J. Phys. Chem. A 1997, 101, 9551