Ring-borylated 15-electron and 17-electron ansa-chromocene complexes, their physical properties and molecular structures

Chemistry - A European Journal

Volumn 13, Issue 21, 2007, Pages 6212-6222

  Shapiro, Pamela J ^a   Sinnema, Piet Jan ^a   Perrotin, Philippe ^a   Budzelaar, Peter H M ^b   Weihe, Hegni ^c   Twamley, Brendan ^a   Zehnder, Ralph A ^a   Nairn, Justin J ^a  

^a UNIVERSITY OF IDAHO   (United States)

^b UNIVERSITY OF MANITOBA   (Canada)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Chromocene; Cyclic voltammetry; Density functional calcinations; EPR spectroscopy; Zwitterions

Indexed keywords

CYCLIC VOLTAMMETRY; DENSITY FUNCTIONAL THEORY; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OLEFINS; PHYSICAL PROPERTIES;

ELECTROSTATIC STABILIZATION; EPR SPECTROSCOPY; REDOX POTENTIALS;

COMPLEXATION;

EID: 34547190312     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200601901     Document Type: Article

References (58)

1. R. P. A. Sneeden, Organochromium Compounds, Academic Press, New York, 1975.
2. R. Davis, L. A. P. Kane-Maguire, in Comprehensive Organometallic Chemistry, Vol. 3, (Eds.: G. Wilkinson, F. G. A. Stone, E. Abel) Pergamon, Oxford, 1982, Chapter 26.2.
3. K. L. T. Wong, H.-H. Brintzinger, J. Am. Chem. Soc. 1975, 97, 5143-5146.
4. H.-H. Brintzinger, L. L. Lohr, K. L. T. Wong, J. Am. Chem. Soc. 1975, 97, 5146-5155.
5. H. Schwemlein, L. Zsolnai, G. Huttner, H.-H. Brintzinger, J. Organomet. Chem. 1983, 256, 285-289.
6. D. M. J. Foo, P. J. Shapiro, Organometallics 1995, 14, 4957-4959.
7. G. J. Matare, D. M. Foo, K. M. Kane, R. Zehnder, M. Wagener, P. J. Shapiro, Organometallics 2000, 19, 1534-1539.
8. P. J. Shapiro, R. Zehnder, D. M. Foo, P. Perrotin, P. H. M. Budzelaar, S. Leitch, B. Twamley, Organometallics 2006, 25, 719-732.
9. P.-J. Sinnema, P. J. Shapiro, D. M. J. Foo, B. Twamley, J. Am. Chem. Soc. 2002, 724, 10996-10997.
10. D. F. Evans, J. Chem. Soc. 1959, 2003-2005.
11. J. H. Williams, Acc. Chem. Res. 1993, 26, 593-598.
12. G. W. Coates, A. R. Dunn, L. M. Henling, J. W. Ziller, E. B. Lobkovsky, R. H. Grubbs, J. Am. Chem. Soc. 1998, 120, 3641-3649.
13. M. Morimoto, S. Kobatake, M. Irie, Chem. Rec. 2004, 4, 23-38.
14. M. D. Blanchard, R. P. Hughes, T. E. Concolino, A. L. Rheingold, Chem. Mater. 2000, 12, 1604-1610.
15. P.-J. Sinnema, J. Nairn, R. Zehnder, P. J. Shapiro, B. Twamley, A. Blumenfeld, Chem. Commun. 2004, 110-111.
16. D. M. J. Foo, R-J. Sinnema, B. Twamley, P. J. Shapiro, Organometallics 2002, 21, 1005-1007.
17. 3 have been unsuccessful, P. J. Shapiro, unpublished results.
18. a) F. Köhler, WA. Geike, J. Organomet. Chem. 1987, 328, 35-47;
19. b) J. Blümel, M. Herker, W. Hiller, F. H. Köhler, Organometallics 1996, 15, 3474-3476;
20. c) F. Köhler, R. de Cao, G. Manlik, Inorg. Chim. Acta 1984, 91, L1-L2;
21. d) F. Köhler, W. Prössdorf, Z. Naturforsch. B 1977, 32, 1026-1029;
22. e) J. Blümel, P. Hofmann, F.H. Köhler, Magn. Reson. Chem. 1993, 31, 2-6.
23. J. A. Barrera, D. E. Wilcox, Inorg. Chem. 1992, 31, 1745-1752.
24. D. O'Hare, V.J. Murphy, N. Kaltsoyannis, J. Chem. Soc. Dalton Trans. 1993, 383-392.
25. A. R. Okl, H. Zhang, J. A. Maguire, N. S. Hosmane, H. Ro, W. E. Hatfield, M. Moscherosch, W. Kaim, Organometallics 1992, 11, 4202-4213.
26. V. V. Burlakov, P. Arndt, W. Baumann, A. Spannenberg, U. Rosenthal, A. V. Letov, K. A. Lyssenko, A. A. Korlyukov, L. I. Strunkina, M. Kh. Minacheva, V.B. Shur, Organometallics 2001, 20, 4072-4079.
27. J. C. Green, C. N. Jardine, J. Chem. Soc. Dalton Trans. 1999, 3767-3770.
28. R. Choukroun, C. Lorber, B. Donnadieu, Organometallics 2004, 23, 1434-1437.
29. J. Ruwwe, G. Erker, R. Fröhlich, Angew. Chem. 1996, 108, 108-110;
30. Angew. Chem. Int. Ed. Engl. 1996, 35, 80-82.
31. L. H. Dörrer, A. J. Graham, D. Haussinger, M. L. H. Green, J. Chem. Soc. Dalton Trans. 2000, 813-820.
32. V. V. Burlakov, S. I. Troyanov, A. V. Letov, L. I. Strunkina, M. K. Minacheva, G. G. Furin, U. Rosenthal, V. B. Shur, J. Organomet. Chem. 2000, 598, 243-247.
33. S. Liu, F.-C. Liu, G. Renkes, S. G. Shore, Organometallics 2001, 20, 5717-5723.
34. P. Perrotin, unpublished results.
35. B. E. Carpenter, W. E. Piers, M. Parvez, G. P. A. Yap, S. J. Rettig, Can. J. Chem. 2001, 79, 857-867.
36. 2O) in ether. The product was purified by vacuum sublimation (120°C, 0.1 torr). See: Eur. Pat. Appl. 728760, 1996.
37. E. König, G. K. König, Magnetic Properties of Coordination and Organometallic Transition Metal Compounds, Vol. 11, Springer, Berlin, 1981,.
38. B. J. Burger, J. E. Bercaw, Experimental Organometallic Chemistry, American Chemical Society, Washington, D.C., 1985.
39. R. Ahlrichs, M. Bär, H.-P. Baron, R. Bauernschmitt, S. Böcker, M. Ehrig, K. Eichkorn, S. Elliott, F. Furche, F. Haase, M. Häser, C. Hättig, H. Horn, C. Huber, U. Huniar, M. Kattannek, A. Köhn, C. Kölmel, M. Kollwitz, K. May, C. Ochsenfeld, H. Ohm, A. Schäfer, U. Schneider, O. Treutler, K. Tsereteli, B. Unterreiner, M. von Arnim, F. Weigend, P. Weis, H. Weiss, Turbomole Version 5, Theoretical Chemistry Group, University of Karlsruhe, January 2002.
40. O. Treutier, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346-354.
41. PQS version 2.4, Parallel Quantum Solutions: Fayetteville, Arkansas (USA), 2001 (the Baker optimizer is available separately from PQS upon request).
42. J. Baker, J. Comput. Chem. 1986, 7, 385-395,
43. A. D. Becke, Phys. Rev. A 1988, 38, 3098-3100.
44. J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824.
45. K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs, Theor. Chem. Acc. 1997, 97, 119-124.
46. A. Schäfer, H. Horn, R. Ahlrichs, J. Chem. Phys. 1992, 97, 2571-2577.
47. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
48. A. D. Becke, J. Chem. Phys. 1993, 98, 1372-1377,
49. A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652.
50. All calculations were performed using the Turbomole functional "b3-lyp", which is not identical to the Gaussian "B3LYP" functional.
51. A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829-5835.
52. A. Klamt, G. Schürmann, J. Chem. Soc. Perkin Trans. 1 1993, 2, 799-805,
53. J. H. Jacobsen, E. Pedersen, J. Villadsen, H. Weihe, lnorg. Chem. 1993, 32, 1216-1221.
54. H. Hope, Prog. Inorg. Chem. 1994, 41, 1-19.
55. SMART: v.5.626, Bruker Molecular Analysis Research Tool, Bruker AXS, Madison, WI, 2002.
56. SAINTPlus: v. 6.45a, Data Reduction and Correction Program, Bruker AXS, Madison, WI, 2003.
57. SADABS: v.2.01, an empirical absorption correction program, Bruker AXS Inc., Madison, WI, 2004.
58. SHELXTL: v. 6.10, Structure Determination Software Suite, Sheldrick, G. M., Bruker AXS Inc., Madison, WI, 2001.