Aminoborylene complexes of group 6 elements and iron: A synthetic, structural, and quantum chemical study

Chemistry - A European Journal

Volumn 13, Issue 17, 2007, Pages 4770-4781

  Blank, Benoît ^a   Colling Hendelkens, Miriam ^b   Kollann, Carsten ^a   Radacki, Krzysztof ^a   Rais, Daniela ^a   Uttinger, Katharina ^a   Whittell, George R ^a   Braunschweig, Holger ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

^b RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Boron; Chromium; Molybdenum; Organometallic chemistry; Tungsten

Indexed keywords

COMPLEXATION; COMPUTATIONAL METHODS; IRON COMPOUNDS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SYNTHESIS (CHEMICAL);

AMINOBORYLENE COMPLEXES; ORGANOMETALLIC CHEMISTRY; SALT ELIMINATION REACTIONS; SPECTROSCOPIC PARAMETERS;

OLEFINS;

EID: 34250317003     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200601520     Document Type: Article

References (90)

1. For current examples see: a) Y. Chauvin, Angew. Chem. 2006, 118, 3824-3831;
2. Angew. Chem. Int. Ed. 2006, 45, 3740-3747;
3. b) R. R. Schrock, Angew. Chem. 2006, 118, 3832-3844;
4. Angew. Chem. Int. Ed. 2006, 45, 3748-3759;
5. c) R. H. Grubbs, Angew. Chem. 2006, 118, 3845-3850;
6. Angew. Chem. Int. Ed. 2006, 45, 3760-3765.
7. M. Scholl, S. Ding, C. W. Lee, R. H. Grubbs, Org. Lett. 1999, 1, 953-956.
8. K. H. Döth, H. Fischer, P. Hofmann, F. R. Kreissl, U. Schubert, K. Weiss, Transition Metal Carbene Complexes, Verlag Chemie, Weinheim, 1983.
9. a) H. Braunschweig, Angew. Chem. 1998, 110, 1882-1898;
10. Angew. Chem. Int. Ed. 1998, 37, 1786-1801;
11. b) H. Braunschweig, M. Colling, Coord. Chem. Rev. 2001, 223, 1-51;
12. c) H. Braunschweig, M. Colling, Eur. J. Inorg. Chem. 2003, 393-403;
13. d) H. Braunschweig, Adv. Organomet. Chem. 2004, 51, 163-192;
14. e) H. Braunschweig, C. Kollann, D. Rais, Angew. Chem. 2006, 118, 5389-5400;
15. Angew. Chem. Int. Ed. 2006, 45, 5254-5274.
16. H. Braunschweig, M. Colling, C. Hu, K. Radacki, Angew. Chem. 2003, 115, 215-218;
17. Angew. Chem. Int. Ed. 2003, 42, 205-208.
18. a) H. Braunschweig, C. Kollann, U. Englert, Angew. Chem. 1998, 110, 3355-3357;
19. Angew. Chem. Int. Ed. 1998, 37, 3179-3180;
20. b) H. Braunschweig, M. Colling, C. Kollann, H. G. Stammler, B. Neumann, Angew. Chem. 2001, 113, 2359-2361; Angew. Chem. Int. Ed.
21. 2001, 40, 2298-2300.
22. H. Braunschweig, M. Colling, C. Kollann, K. Merz, K. Radacki, Angew. Chem. 2001, 113, 4327-4329;
23. Angew. Chem. Int. Ed. 2001, 40, 4198-4200.
24. D. L. Coombs, S. Aldridge, C. Jones, D. J. Willock, J. Am. Chem. Soc. 2003, 125, 6356-6357.
25. D. L. Kays (nee Coombs), J. K. Day, L.-L. Ooi, S. Aldridge, Angew. Chem. 2005, 117, 7623-7626;
26. Angew. Chem. Int. Ed. 2005, 44, 7457-7460.
27. S. Aldridge, C. Jones, T. Gans-Eichler, A. Stasch, D. L. Kays (née Coombs), N. D. Coombs, D. J. Willock, Angew. Chem. 2006, 118, 6264-6268;
28. Angew. Chem. Int. Ed. 2006, 45, 6118-6122.
29. H. Braunschweig, K. Radacki, D. Scheschkewitz, G. R. Whitell, Angew. Chem. 2005, 117, 1685-1688;
30. Angew. Chem. Int. Ed. 2005, 44, 1658-1660.
31. a) F. M. Bickelhaupt, U. Radius, A. W. Ehlers, R. Hoffmann, E. J. Baerends, New J. Chem. 1998, 22, 1-3;
32. b) A. W. Ehlers, E. J. Baerends, F. M. Bickelhaupt, U. Radius, Chem. Eur. J. 1998, 4, 210-221;
33. c) U. Radius, F. M. Bickelhaupt, A. W. Ehlers, N. Goldberg, R. Hoffmann, Inorg. Chem. 1998, 57, 1080-1090.
34. H. Braunschweig, T. Wagner, Angew. Chem. 1995, 107, 904-905;
35. Angew. Chem. Int. Ed. Engl. 1995, 34, 825-826.
36. J. Su, X.-W. Li, R. C. Crittendon, C. F. Campana, G. H. Robinson, Organometallics 1997, 16, 4511-4513.
37. a) C. Boehme, G. Frenking, Chem. Eur. J. 1999, 5, 2184-2189;
38. b) C. L. B. MacDonald, A. H. Cowley, J. Am. Chem. Soc. 1999, 121, 12113-12126;
39. c) J. Uddin, C. Boehme, G. Frenking, Organometallics 2000, 19, 571-582;
40. d) C. Boehme, J. Uddin, G. Frenking, Coord. Chem. Rev. 2000, 197, 249-276;
41. e) Y. Chen, G. Frenking, J. Chem. Soc. Dalton Trans. 2001, 434-440;
42. f) J. Uddin, G. Frenking, J. Am. Chem. Soc. 2001, 123, 1683-1693;
43. g) T. Bollwein, P. J. Brothers, H. L. Hermann, P. Schwertfeger, Organometallics 2002, 21, 5236-5242;
44. h) S. Aldridge, A. Rossin, D. L. Coombs, D. J. Willock, Dalton Trans. 2004, 2649-2654.
45. B. Wrackmeyer, Angew. Chem. 1999, 111, 817-818;
46. Angew. Chem. Int. Ed. 1999, 38, 771-772.
47. a) H. Braunschweig, B. Ganter, J. Organomet. Chem. 1997, 545-546, 163-167;
48. b) H. Braunschweig, M. Koster, J. Organomet. Chem. 1999, 588, 231-234;
49. c) H. Braunschweig, C. Burschka, M. Burzler, S. Metz, K. Radacki, Angew. Chem. 2006, 118, 4458-4461;
50. Angew. Chem. Int. Ed. 2006, 45, 4352-4355.
51. N. P. Rath, T. P. Fehlner, J. Am. Chem. Soc. 1988, 110, 5345-5349.
52. H. Braunschweig, D. Rais, Heteroat. Chem. 2005, 16, 566-571.
53. H. Braunschweig, M. Colling, C. Kollann, U. Englert, J. Chem. Soc. Dalton Trans. 2002, 2289-2296.
54. a) H. Braunschweig, M. Forster, K. Radacki, Angew. Chem. 2006, 118, 2187-2189;
55. Angew. Chem. Int. Ed. 2006, 45, 2132-2134;
56. b) H. Braunschweig, T. Herbst, D. Rais, F. Seeler, Angew. Chem. 2005, 117, 7627-7629;
57. Angew. Chem. Int. Ed. 2005, 44, 7461-7463.
58. a) H. Braunschweig, D. Rais, K. Uttinger, Angew. Chem. 2005, 117, 3829-3832;
59. Angew. Chem. Int. Ed. 2005, 44, 3763-3766;
60. b) H. Braunschweig, K. Radacki, D. Rais, K. Uttinger, Organometallics 2006, 25, 5159-5164.
61. a) H. Braunschweig, M. Koster, K. W. Klinkhammer, Angew. Chem. 1999, 111, 2368-2370;
62. Angew. Chem. Int. Ed. 1999, 38, 2229-2231;
63. b) H. Braunschweig, K. W. Klinkhammer, M. Koster, K. Radacki, Chem. Eur. J. 2003, 9, 1303-1309.
64. a) H. Braunschweig, B. Ganter, M. Koster, T. Wagner, Chem. Ber. 1996, 129, 1099-1101;
65. b) H. Braunschweig, M. Koster, R. Wang, Inorg. Chem. 1999, 38, 415-416.
66. M. J. Bennett, W. A. G. Graham, R. A. Smith, R. P. Stewart, Jr., J. Am. Chem. Soc. 1973, 95, 1684-1686.
67. H. Nöth, Nuclear Magnetic Resonance Spectroscopy of Boron Compounds, Springer Verlag, 1978.
68. E. A. V. Ebsworth, D. W. H. Rankin, S. Cradock, Structural Methods in Inorganic Chemistry, 2nd ed., Blackwell, Oxford, 1991, p. 227.
69. a) C. A. Mirkin, K.-L. Lu, G. L. Geoffroy, A. L. Rheingold, J. Am. Chem. Soc. 1990, 112, 461-462;
70. b) T. E. Snead, C. A. Mirkin, K.-L. Lu, S.-B. T. Nguyen, W.-C. Feng, H. L. Beckman, G. L. Geoffroy, A. L. Rheingold, B. S. Haggerty, Organometallics 1992, 11, 2613-2622.
71. W. P. Fehlhammer, H. Stolzenberg in Comprehensive Organometallic Chemistry, Vol. 1 (Eds.: G. Wilkinson, F. G. A. Stone), Pergamon, Oxford, 1982, p. 548-555.
72. M. Casarin, D. Ajò, G. Granozzi, E. Tondello, S. Aime, Inorg. Chem. 1985, 24, 1241-1246.
73. Gaussian03, Revision B.04, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 2003.
74. A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652.
75. S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 1980, 58, 1200.
76. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
77. Wachters+f and Stuttgart RSC 1997 ECP Basis Sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 9935 (USA), and funded by the US Department of Energy.
78. R. E. Stratmann, J. C. Burant, G. E. Scuseria, M. J. Frisch, J. Chem. Phys. 1997, 106, 10175-10183.
79. TOPMOD package, S. Noury, X. Krokidis, F. Fuster, B. Silvi, Universite Pierre et Marie Curie, 1997.
80. NBO5.0, E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, F. Weinhold, Theoretical Institute, University of Wisconsin, Madison, 2001.
81. S. Dapprich, G. Franking, J. Phys. Chem. 1995, 99, 9352-9362.
82. MOLEKEL 4.0, P. Flükiger, H. P. Lüthi, S. Portmann, J. Weber, Swiss Center for Scientific Computing, Manno (Switzerland), 2000.
83. S. F. Vyboishchikiv, G. Frenking, Chem. Eur. J. 1998, 4, 1428-1438.
84. M. Kohout, F. R. Wagner, Y. Grin, Theor. Chem. Acc. 2002, 108, 150-156.
85. 6Cr]. The valence basin V(B,Cr) of the ELF surface has the form of a ring.
86. A. Savin, B. Silvi, F. Coionna, Can. J. Chem. 1996, 74, 1088-1096.
87. J. M. Maher, R. P. Beatty, N. J. Cooper, Organometallics 1985, 4, 1354-1361.
88. J. A. Gladysz, W. Tam, J. Org. Chem. 1978, 43, 2279-2280.
89. W. Haubold, U. Kraatz, Z. Anorg. Allg. Chem. 1976, 421, 105-110.
90. C. Kollann, PhD thesis, RWTH Aachen, Germany, 1999.