Unusual Hydrogen Bonds with a Hydride Atom in Boron Hydrides Acting as Proton Acceptor. Spectroscopic and Theoretical Studies

Inorganic Chemistry

Volumn 37, Issue 12, 1998, Pages 3013-3017

  Epstein, Lina M ^a   Shubina, Elena S ^a   Bakhmutova, Ekaterina V ^a   Saitkulova, Liliya N ^b   Bakhmutov, Vladimir I ^a   Chistyakov, Anatolii L ^a   Stankevich, Ivan V ^a  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^b INSTITUTE OF TECHNICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001421481     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic971461x     Document Type: Article

References (30)

1. (a) Lough, A. J.; Park, S.; Ramashandran, R.; Morris, R. H. J. Am. Chem. Soc. 1994, 116, 8356.
2. (b) Park, S.; Ramashandran, R.; Lough, A. J.; Morris, R. H. J. Chem. Soc., Chem. Commun. 1994, 2201.
3. (c) Lee, J. C.; Peris, E.; Rheingold, A.; Crabtree, R. H. J. Am. Chem. Soc., 1994, 116, 11014.
4. (d) Lee, J. C.; Rheingold, A.; Muller, B.; Pregosin, P. S.; Crabtree, R. H. J. Chem. Soc., Chem. Commun 1994, 1021.
5. (e) Peris, E.; Lee, J. C.; Rambo, J. R.; Eisenstein, O.; Crabtree, R. H. J. Am. Chem. Soc. 1995, 117, 3485.
6. (a) Shubina, E. S.; Belkova, N. V.; Krylov, A. N.; Vorontsov, E. V.; Epstein, L. M.; Gusev, D. G.; Niedermann, M.; Berke, H. J. Am. Chem. Soc. 1996, 118, 1105.
7. (b) Belkova, N. V.; Shubina, E. S.; Ionidis, A. V.; Epstein, L. M.; Jacobson, H.; Niedermann, M.; Berke, H. Inorg. Chem. 1997, 36, 1522.
8. (c) Shubina, E. S.; Belkova, N. V.; Ionidis, A. V.; Goluhev, N. S.; Smirnov, S. N.; Epstein, L. M. Izv. Akad. Nauk, Ser. Khim. 1997, 1405: Russ. Chem. Bull. 1997, 44, 1349 (English transl.).
9. (c) Shubina, E. S.; Belkova, N. V.; Ionidis, A. V.; Goluhev, N. S.; Smirnov, S. N.; Epstein, L. M. Izv. Akad. Nauk, Ser. Khim. 1997, 1405: Russ. Chem. Bull. 1997, 44, 1349 (English transl.).
10. (a) Peris, E.; Wessel, J.; Lee, J. C.; Yap, G. P. A.; Fortin, J. B.; Ricci, J. S.; Sini, G.; Albinati, A.; Koetzle, T. F.; Eisenstein, O.; Rheingold, A. L.; Crabtree, R. H. Angew. Chem. 1995, 107, 2711; Angew. Chem., Int. Ed. Engl. 1995, 34, 2507.
11. (a) Peris, E.; Wessel, J.; Lee, J. C.; Yap, G. P. A.; Fortin, J. B.; Ricci, J. S.; Sini, G.; Albinati, A.; Koetzle, T. F.; Eisenstein, O.; Rheingold, A. L.; Crabtree, R. H. Angew. Chem. 1995, 107, 2711; Angew. Chem., Int. Ed. Engl. 1995, 34, 2507.
12. Liu, Q.; Hoffmann, R. J. Am. Chem. Soc. 1995, 117, 10108.
13. (a) Richardson, T. B.; de Gala, S.; Crabtree R. H.; Siegbahn, P. E. M. J. Am. Chem. Soc. 1995, 117, 12875.
14. (b) Crabtree, R. H.; Siegbahn, R. E. M.; Eisenstein, O.; Rheincold, A.; Koetzle, S. A. T. L. Acc. Chem. Res. 1996, 29, 348.
15. (a) Brown, M. P.; Heseltine, R. W. Chem. Commun. 1968, 1551.
16. (b) Brown, M. P.; Heseltine, R. W.; Smith, P. A.; Walker, P. J. J. Chem. Soc. A 1970, 410.
17. Brown, M. P.; Walker, P. J. Spectrochim. Acta 1974, 30A, 1125.
18. Shubina, E. S.; Bakhmutova, E. V.; Saitkulova, L. N.; Epstein, L. M. Mendeleev Commun. 1997, 83.
19. (a) Iogansen, A. V. Teor. Eksp. Khim. 1971, 7, 302.
20. (b) Iogansen A. V. Theor. Eksp. Khim. 1971, 7, 314.
21. Iogansen, A. V. The Hydrogen Bond; Nauka: Moscow, 1981.
22. Kurkchi, G. A. Zh. Prikl. Spectrosc. 1967, 6, 829.
23. (a) Lokshin, B. V.; Kazarian, S. G.; Ginzburg, A. G. Izv. Akad. Nauk SSSR, Ser. Khim. 1986, 11, 2605.
24. (b) Lokshin, B. V.; Kazarian, S. G.; Ginzburg, A. G. Izv. Akad. Nauk SSSR, Ser. Khim. 1987, 4, 948.
25. Lokshin, B. V.; Kazarian, S. G.; Ginzburg, A. G. Izv. Akad. Nauk SSSR, Ser. Khim. 1988, 2, 333.
26. Hamley, P. A.; Kazarian, S. G.; Poliakoff, M. Organometallics 1994, 13, 1767.
27. Shubina, E. S.; Belkova, N. V.; Epstein, L. M. J. Organomet. Chem. 1997, 17, 536.
28. Abraham, M. H.; Grellier, P. L.; Prior, D. V.; Duce, P. P.; Morris, J. J.; Taylor, P. J. J. Chem. Soc., Perkin Trans. 1989, 2, 699.
29. - with HC≡N is nonlinear. We carried out the calculation of this complex by our method and also obtained the most profound minimum corresponding to the tridentate coordination of HC≡N (ΔE = 17.93 kcal/mol). However, features of hydrogen bonds are characteristic not to this complex but to a linear one though its formation energy is smaller for 2.5 kcal/mol. It is characterized by positive population of H⋯H (0.079 Å), by considerably smaller H⋯H distance (1.7 Å instead of 2.2 Å), and by the more substantial repolarization of partner molecules.
30. Epstein, L. M.; Saitkulova, L. N.; Shubina, E. S. J. Mol. Struct. 1992, 270, 325.