Structures of arachno- and hypho-B10 Clusters and Stability of Their Possible Lewis Base Adducts ([B10H12] 2-,[B10H12·L]2-, [B10H12·2L]2-,[B10H 13]-,[B10H13·L]-, [B10H12·2L])

Inorganic Chemistry

Volumn 37, Issue 21, 1998, Pages 5557-5565

  Hofmann, Matthias ^a   Von Ragué Schleyer, Paul ^a,b  

^a UNIVERSITY OF GEORGIA   (United States)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000426740     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic9805729     Document Type: Article

References (38)

1. (a) Lipscomb, W. N. Boron Hydrides; Benjamin: New York, 1963.
2. (b) Muetterties, E. L. Boron Hydride Chemistry, Academic Press: New York, 1975.
3. Wilkes, P. H.; Carter, J. C. J. Am. Chem. Soc. 1966, 88, 3441.
4. Greenwood, N. N.; Ward, I. Chem. Soc. Rev. 1974, 3, 321.
5. Greenwood, N. N.; Youll, B. J. Chem. Soc., Dalton Trans. 1975, 158.
6. Bridges, A. N.; Gaines, D. F. Inorg. Chem. 1995, 34, 4523.
7. 11B chemical shirts are not given explicitly in ref 5 but are estimated from the spectrum shown there.
8. (a) Bühl, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1992, 114, 477.
9. (b) Bühl, M.; Gauss, J.; Hofmann, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1993, 115, 12385. For an extensive list of references to ab initio/ IGLO/NMR applications see: Diaz, M.; Jaballas, J.; Tran, D.; Lee, H.; Arias, J.; Onak, T. Inorg. Chem. 1996, 35, 4536.
10. (b) Bühl, M.; Gauss, J.; Hofmann, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1993, 115, 12385. For an extensive list of references to ab initio/ IGLO/NMR applications see: Diaz, M.; Jaballas, J.; Tran, D.; Lee, H.; Arias, J.; Onak, T. Inorg. Chem. 1996, 35, 4536.
11. For an introduction to computational chemistry and the usual nomenclature see: (a) Foresman, J. B.; Frisch, Æ. Exploring Chemistry with Electronic Structure Methods, A Guide to Using Gaussian; Gaussian Inc.; Pittsburgh, PA. 1993. (b) Hehre, W. J.; Radon, L.; Schleyer, P. v. R.; Pople, J. A. Ab initio Molecular Orbital Theory; Wiley: New York. 1986.
12. For an introduction to computational chemistry and the usual nomenclature see: (a) Foresman, J. B.; Frisch, Æ. Exploring Chemistry with Electronic Structure Methods, A Guide to Using Gaussian; Gaussian Inc.; Pittsburgh, PA. 1993. (b) Hehre, W. J.; Radon, L.; Schleyer, P. v. R.; Pople, J. A. Ab initio Molecular Orbital Theory; Wiley: New York. 1986.
13. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill. P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision C.3; Gaussian, Inc.; Pittsburgh, PA, 1995.
14. (a) Kutzelnigg, W. Isr. J. Chem. 1980, 19, 193.
15. (b) Schindler, M.; Kutzelnigg, W. J. Chem. Phys. 1982, 76, 1919.
16. (c) Kutzelnigg, W.; Fleischer, U.; Schindler, M. NMR 1990, 23, 165.
17. Huzinaga, S. Approximate Atomic Wave Functions; University of Alberta: Edmonton, Canada, 1971.
18. (a) London, F. J. Phys. (Paris) 1937, 8, 397.
19. (b) Wolinski, K.; Hilton, J. F.; Pulay, P. J. Am. Chem. Soc. 1990, 112, 8251.
20. Onak, T. P.; Landesman, H. L.; Williams, R. E. J. Phys. Chem. 1959, 63, 1533.
21. 3; d, L = pyridine.
22. Hofmann, M.; Schleyer, P. v. R. Inorg. Chem., in press.
23. The IGLO procedure did not converge for 2a and 3a.
24. Schaeffer, R. J. Am. Chem. Soc. 1957, 79, 1006.
25. (a) van der Maas Reddy, J.; Lipscomb, W. N. J. Am. Chem. Soc. 1959, 81, 754.
26. (b) van der Maas Reddy, J.; Lipscomb, W. N. J. Chem, Phys. 1959, 31, 610.
27. Hyatt, D. E.; Scholer, F. R.; Todd, L. J. Inorg. Chem. 1967, 6, 630.
28. Cendrowski-Guillaume, S. M.; O'Laughlin, J. L.; Pelczer, I.; Spencer, J. T. Inorg. Chem. 1995, 34, 3935.
29. Graybill, B. M.; Pitochelli, A. R.; Hawthorne, M. F. Inorg. Chem. 1962, 1, 622.
30. 2. (Hermánek, S. Chem. Rev. 1992, 92, 325).
31. For hydrogen bonds with element-hydride bonds as proton acceptors, see: Crabtree, R. H.; Siegbahn, P. E. M.; Eisenstein, O.; Rheingold, A. L.; Koetzle, T. F. Acc. Chem. Res, 1996, 20, 348.
32. Guter, G. A.; Schaefrer, G. W. J. Am. Chem. Soc. 1956, 78, 3456.
33. Siedle, A. R.; Bodner, G. M.; Todd, L. J. J. Inorg. Nucl. Chem. 1971, 33, 3671.
34. Hermánck, S.; Plotová, H.; Plesek, J. Collect. Czech. Chem. Commun. 1975, 40, 3593.
35. Sneddon, L. G.; Huffman, J. C.; Schaeffer, R. O.; Streib, W. E. J. Chem. Soc., Chem. Commun. 1979, 474.
36. Wynd, A. J.; Welch, A. J. Acta Crystallogr. 1989, C45, 615.
37. Todd, L. J.; Siedle, A. R. Prog. NMR Spectrosc. 1979, 13, 87.
38. Hermánek, S. Chem. Rev. 1992, 92, 325.