Fe-B bonding in (dibromoboryl)ferrocene: A structural and theoretical investigation

Organometallics

Volumn 15, Issue 4, 1996, Pages 1188-1194

  Appel, Andrea ^a   Jäkle, Frieder ^b   Priermeier, Thomas ^b   Schmid, Rochus ^b   Wagner, Matthias ^b  

^a UNIVERSITY OF MUNICH   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0009656904     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om950744z     Document Type: Article

References (49)

1. Watts, W. E. J. Organomet. Chem. Libr. 1979, 7, 399.
2. Rybinskaya, M. I.; Kreindlin, A. Z.; Petrovskii, P. V.; Minyaev, R. M.; Hoffmann, R. Organometallics 1994, 13, 3903.
3. Kreindlin, A. Z.; Fedin, E. I.; Petrovskii, P. V.; Rybinskaya, M. I.; Minyaev, R. M.; Hoffmann, R. Organometallics 1991, 10, 1206.
4. Pittman, C. U. Tetrahedron Lett. 1967, 3619.
5. Renk, T.; Ruf, W.; Siebert, W. J. Organomet. Chem. 1976, 120, 1.
6. Ruf, W.; Renk, T.; Siebert, W. Z. Naturforsch. 1976, 31B, 1028.
7. Appel, A.; Nöth, H.; Schmidt, M. Chem. Ber. 1995, 128, 621.
8. Wrackmeyer, B.; Dörfler, U.; Milius, W.; Herberhold, M. Polyhedron 1995, 14, 1425.
9. Watts, W. E. J. Organomet. Chem. 1981, 220, 165.
10. Parr, R. G., Yang, W., Eds. in Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
11. Labanowski, J. H.; Andzelm, J. W., Eds. in Density Functional Methods in Chemistry; Springer: New York, 1991.
12. Wrackmeyer, B.; Dörfler, U.; Rinck, J.; Herberhold, M. Z. Naturforsch. 1994, 49B, 1403.
13. Further details of the crystal structure investigation are available on request from the Fachinformationszentrum Karlsruhe, Gesellschaft für wissenschaftlich-technische Information mbH, D-76344 Eggenstein-Leopoldshafen, Germany, on quoting the depository number CSD 59302, the names of the authors, and the literature citation.
14. Cromer, D. T. International Tables of X-Ray Crystallography; Kynoch Press: Birmingham, England, 1974; Vol. IV, Table 2.2B.
15. Cromer, D. T. International Tables of X-Ray Crystallography; Kynoch Press: Birmingham, England, 1974; Vol. IV, Table 2.3.1.
16. Sheldrick, G. M. SHELXS-86; Universität Göttingen, Göttingen, Germany, 1986.
17. Watkin D. J.; Betteridge, P. W.; Carruthers, J. R. CRYSTALS; Oxford, England, 1986.
18. Prince, E. Mathematical Techniques in Crystallography, Springer-Verlag: Berlin, 1982.
19. Spek, A. L. The EUCLID Package. In Computational Crystaltography; Sayre, D., Ed.; Clarendon, Press: Oxford, England, 1982.
20. Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280.
21. UNICHEM 2.3, Cray Research, Inc., 1994.
22. Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133.
23. Ziegler, T. Chem. Rev. 1991, 91, 651.
24. Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
25. Chen, H.; Krasowski, M.; Fitzgerald, G. J. Chem. Phys. 1993, 98, 8710.
26. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270.
27. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829. The triple-ζ basis set is augmented with two diffuse p-type functions (0.2/0.06), as supplied by the DGauss 3.0 file of basis sets.
28. Jones, R. O.; Gunnarsson, O. Rev. Mod. Phys. 1990, 61, 689.
29. Mlynarski, P.; Salahub, D. R. Phys. Rev. B 1991, 43, 1399.
30. Fan, L.; Ziegler, T. J. Chem. Phys. 1991, 94, 6057.
31. Fan, L.; Ziegler, T. J. Chem. Phys. 1991, 95, 7401.
32. Lee, C.; Fitzgerald, G.; Yang, W. J. Chem. Phys. 1993, 98, 2971.
33. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
34. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
35. Allen, F. H.; Kennard, O.; Taylor, R. Acc. Chem. Res. 1983, 16, 146.
36. Behrens, U. J. Organomet. Chem. 1979, 182, 89.
37. Gleiter, R.; Seeger, R. Helv. Chim. Acta 1971, 54, 1217.
38. Hoffmann, R. J. Chem..Phys. 1963, 39, 1397.
39. Hoffmann, R. J. Chem. Phys. 1964, 40, 2480.
40. Yanovsky, A. I.; Struchkov, Y. T.; Kreindlin, A. Z.; Rybinskaya, M. I. J. Organomet. Chem. 1989, 369, 125.
41. Rybinskaya, M. I.; Kreindlin, A. Z.; Struchkov, Y. T.; Yanovsky, A. I. J. Organomet. Chem. 1989, 359, 233.
42. Muetterties, E. L. The Chemistry of Boron and Its Compounds; Wiley: New York, 1967.
43. Mayer, I. Int. J. Quantum Chem. 1986, 29, 477.
44. Pebler, J.; Ruf, W.; Siebert, W. Z. Anorg. Allg. Chem. 1976, 422, 39.
45. Doman, T. N.; Landis, C. R.; Bosnich, B. J. Am. Chem. Soc. 1992, 114, 7264.
46. Herberhold, M.; Dörfler, U.; Wrackmeyer, B. Polyhedron 1995, 14, 2683.
47. Streitwieser, A.; Swanson, J. T. J. Am. Chem. Soc. 1983, 105, 2502.
48. Jäkle, F.; Mattner, M.; Priermeier, T.; Wagner, M. J. Organomet. Chem. 1995, 502, 123.
49. Jäkle, F.; Priermeier, T.; Wagner, M. J. Chem. Soc., Chem. Commun. 1995, 1765.