2,3,4-Tricarba-nido-hexaboranes(7) with a Bridging B-Ethyl-B Moiety

European Journal of Inorganic Chemistry

Volumn , Issue 5, 1998, Pages 633-637

  Wrackmeyer, Bernd ^a   Schanz, Hans Jörg ^a   Hofmann, Matthias ^b   Von R Schleyer, Paul ^b  

^a UNIVERSITY OF BAYREUTH   (Germany)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Ab initio calculations; Boron; Carboranes; NMR spectroscopy

Indexed keywords

BORON; BORON COMPOUNDS; CHLORINE COMPOUNDS;

AB INITIO CALCULATIONS; CARBORANES; CATALYTIC AMOUNTS; HYDROBORATION; METHYL GROUP; MODEL COMPOUND; NMR SPECTRUM; NMR-SPECTROSCOPY; TRIBUTYLTIN CHLORIDES; TRIMETHYL;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 0000122179     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1099-0682(199805)1998:5<633::aid-ejic633>3.0.co;2-d     Document Type: Article

References (35)

1. [1a] R. N. Grimes, Carboranes, Academic Press, London, 1970.
2. [1b] C. L. Bramlett, R. N. Grimes, J. Am. Chem. Soc. 1966, 88, 4269-4270.
3. [2a] M. A. Fox, R. Greatrex, J. Chem. Soc., Chem. Commun. 1995, 667-668.
4. [2b] M. A. Fox, R. Greatrex, J. Chem. Soc., Chem. Commun. 1996, 175-176.
5. R. Köster, G. Benedikt, M. A. Grassberger, Justus Liebigs. Ann. Chem. 1968, 719, 187-209.
6. 2BH is used for simplicity. Tetraethyldiborane(6) is usually obtained and used as a mixture with triethylborane and small amounts of other ethyldiboranes(6): R. Köster, G. Bruno, P. Binger, Justus Liebigs Ann Chem. 1961, 644, 1-22.
7. [5a] R. Köster, G. W. Rotermund, Tetrahedron Lett. 1964, 1667.
8. [5b] P. Binger, Tetrahedron Lett., 1966, 2675.
9. [5c] R. Köster, H.-J. Horstschäfer, P. Binger, P. K. Matschei, Liebigs Ann. Chem. 1975, 1339-1356.
10. [6a] R. Köster, G. Seidel, B. Wrackmeyer, Angew. Chem. 1994, 106, 2380-2382; Angew. Chem. Int. Ed Engl 1994, 33, 2294-2296.
11. [6a] R. Köster, G. Seidel, B. Wrackmeyer, Angew. Chem. 1994, 106, 2380-2382; Angew. Chem. Int. Ed Engl 1994, 33, 2294-2296.
12. [6b] B. Wrackmeyer, H.-J. Schanz, Collect. Czech. Chem Commun. 1997, 62, 1254-1262.
13. R. Köster, R. Boese. H.-J. Schanz, B. Wrackmeyer, J. Chem Soc., Chem. Commun. 1995, 1691-1692.
14. [8a] A. Feßenbecker, A. Hergel, R. Hettrich, V. Schäfer, W. Siebert, Chem. Ber. 1993. 126, 2205.
15. [8b] B. Wrackmeyer, H.-J. Schanz, Main Group Met. Chem. 1998, 21, 29-32.
16. B. Gangnus, H. Stock, W. Siebert, M. Hofmann, P. v. R. Schleyer, Angew, Chem. 1994, 106, 2384; Angew, Chem. Int. Ed. Engl. 1994, 33, 2296.
17. B. Gangnus, H. Stock, W. Siebert, M. Hofmann, P. v. R. Schleyer, Angew, Chem. 1994, 106, 2384; Angew, Chem. Int. Ed. Engl. 1994, 33, 2296.
18. B. Wrackmeyer, H.-J. Schanz, W. Milius, Angew. Chem. 1997, 109, 98-99; Angew. Chem. Int. Ed. Engl. 1997, 36, 75-77.
19. B. Wrackmeyer, H.-J. Schanz, W. Milius, Angew. Chem. 1997, 109, 98-99; Angew. Chem. Int. Ed. Engl. 1997, 36, 75-77.
20. M. Hofmann, M. A. Fox, R. Greatrex, R. E. Williams, P. v. R. Schleyer, J. Organomet. Chem. in press.
21. D.F. Gaines, Acc Chem. Res. 1973, 6, 416-421.
22. A. Abragam, The Principles of Nuclear Magnetism, Oxford University Press, Oxford 1961, chapter 8.
23. B. Wrackmeyer, Annu. Rep N M R Spectrosc. 1988, 20, 61-203.
24. [15a] M. Bühl, p. v. R. Schleyer J. Am. Chem Soc. 1992, 114, 477-491
25. [15b] M. Bühl, J. Gauss, M. Hofmann, P. v. R. Schleyer J. Am. Chem. Soc. 1993, 115, 12385-12390.
26. [15c] See M. Diaz, J. Jaballas, J. Arias, H. Lee, T. Onak, J. Am. Chem. Soc. 1996, 118, 4405-4410 for an extensive bibliography.
27. [16a] M. A. Fox, R. Greatrex, M. Hofmann, P. v. R. Schleyer, R. E. Williams Angew Chem. 1997, 109, 1542-1544; Angew. Chem. Int. Ed. Engl. 1997, 36, 1498-1501.
28. [16a] M. A. Fox, R. Greatrex, M. Hofmann, P. v. R. Schleyer, R. E. Williams Angew Chem. 1997, 109, 1542-1544; Angew. Chem. Int. Ed. Engl. 1997, 36, 1498-1501.
29. [16b] M. Diaz, J. Jaballas, D. Tran, H. Lee, J. Anas, T. Onak, Inorg. Chem. 1996, 35, 4536-4540 and references cited therein.
30. [17c] Gaussian 94, Revision D.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson. M. A. Robb. J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995).
31. [17c] Gaussian 94, Revision D.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson. M. A. Robb. J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995).
32. [17c] Gaussian 94, Revision D.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson. M. A. Robb. J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995).
33. [2b] -57.9 [B(1)), -0.3 (B(5,6)].
34. 2): -9.7] close to those for the optimized 7c geometry.
35. W. Koch, P. v. R. Schleyer, P. Buzek, B. Liu, Croat Chim. Acta 1992, 65, 655-672 and literature cited.