New chiral zwitterionic λ5Si-silicates with an SiO5 or SiO4C framework: Syntheses, crystal structures, and properties

European Journal of Inorganic Chemistry

Volumn , Issue 5, 1999, Pages 807-816

  Tacke, Reinhold ^a   Pfrommer, Brigitte ^a   Pülm, Melanie ^a   Bertermann, Rüdiger ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

Ab initio studies; Chirality; Pentacoordinate silicon; Stereochemistry; Zwitterionic 5Si silicates

Indexed keywords

MUSCULOSKELETAL SYSTEM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SILICON; SINGLE CRYSTALS; X RAY DIFFRACTION;

AB INITIO STUDY; CHIRAL COMPOUNDS; CRYSTAL PROPERTIES; CRYSTALS STRUCTURES; NEGATIVELY CHARGED; PENTACOORDINATE SILICON; SILICON ATOMS; STRUCTURES AND PROPERTIES; ZWITTERIONIC Λ5SI-SILICATE; ZWITTERIONICS;

SILICATES;

AMPHOLYTE; ANION; COORDINATION COMPOUND; NITROGEN; SILICATE; SILICON;

AQUEOUS SOLUTION; ARTICLE; CHIRALITY; CRYSTAL STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLID STATE; STEREOCHEMISTRY; SYNTHESIS; X RAY DIFFRACTION;

EID: 0032840628     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1099-0682(199905)1999:5<807::aid-ejic807>3.3.co;2-p     Document Type: Article

References (38)

1. Reviews and proceedings dealing with pentacoordinate silicon compounds:
2. [1a] S. N. Tandura, M. G. Voronkov, N. V. Alekseev, Top. Curr. Chem. 1986, 131, 99-189.
3. [1b] W. S. Sheldrick, in The Chemistry of Organic Silicon Compounds, Part 1 (Eds.: S. Patai, Z. Rappoport), Wiley, Chichester, 1989, pp. 227-303.
4. [1c] R. R. Holmes, Chem. Rev. 1990, 90, 17-31.
5. [1d] C. Chuit, R. J. P. Corriu, C. Reye, J. C. Young, Chem. Rev. 1993, 93, 1371-1448.
6. [1e] R. Tacke, J. Becht, A. Lopez-Mras, J. Sperlich, J. Organomet. Chem. 1993, 446, 1-8.
7. [1f] C. Y. Wong, J. D. Woollins, Coord. Chem. Rev. 1994, 130, 175-241.
8. [1g] R. Tacke, J. Becht, O. Dannappel, M. Kropfgans, A. Lopez-Mras, M. Mühleisen, J. Sperlich, in Progress in Organosilicon Chemistry (Eds.: B. Marciniec, J. Chojnowski), Gordon and Breach Publishers, Amsterdam, 1995, pp. 55-68.
9. [1h] R. Tacke, O. Dannappel, M. Mühleisen, in Organosilicon Chemistry II -From Molecules to Materials (Eds.: N. Auner, J. Weis), VCH, Weinheim, 1996, pp. 427-446.
10. [1i] R. Tacke, O. Dannappel, in Tailor-made Silicon-Oxygen Compounds - From Molecules to Materials (Eds.: R. Corriu, P. Jutzi), Vieweg, Braunschweig/ Wiesbaden, 1996, pp. 75-86.
11. [1j] E. Lukevics, O. A. Pudova, Chem. Heterocycl. Compd. 1996, 353, 1605-1646.
12. [1k] R. R. Holmes, Chem. Rev. 1996, 96, 927-950.
13. [1l] D. Kost, I. Kalikhman, in The Chemistry of Organic Silicon Compounds, Part 2, Vol. 2 (Eds.: Z. Rappoport, Y. Apeloig), Wiley, Chichester, 1998, pp. 1339-1445.
14. 5 skeleton that have been structurally characterized by single-crystal X-ray diffraction:
15. [2a] R. R. Holmes, R. O. Day, J. S. Payne, Phosphorus, Sulfur, Silicon 1989, 42, 1-13.
16. [2b] K. C. Kumara Swamy, V. Chandrasekhar, J. J. Harland, J. M. Holmes, R. O. Day, R. R. Holmes, J. Am. Chem. Soc. 1990, 112, 2341-2348.
17. [2c] R. M. Laine, K. Y. Blohowiak, T. R. Robinson, M. L. Hoppe, P. Nardi, J. Kampf, J. Uhm, Nature 1991, 353, 642-644.
18. [2d] R. Tacke, M. Mühleisen, Inorg. Chem. 1994, 33, 4191-4193.
19. [2e] Added at proofs: W. Donhärl, I. Elhofer, P. Wiede, U. Schubert, J. Chem. Soc., Dalton Trans. 1998, 2445-2446.
20. Some preliminary results have been presented at the 4th Munich Silicon Days (April 7-8, 1998).
21. R. Tacke, R. Bertermann, A. Biller, O. Dannappel, M. Pülm, R. Willeke, Eur. J. Inorg. Chem. 1999, 795-805.
22. [5a] E. W. Abel, R. P. Bush, J. Organomet. Chem. 1965, 3, 245-252.
23. [5b] G. Kannengiesser, F. Damm, Bull. Soc. Chim. Fr. 1967, 2492-2495.
24. B. Pfrommer, R. Tacke, Eur. J. Inorg. Chem. 1998, 415-418.
25. [7a] E. L. Muetterties, L. J. Guggenberger, J. Am. Chem. Soc. 1974, 96, 1748-1756.
26. [7b] R. R. Holmes, J. A. Deiters, J. Am. Chem. Soc. 1977, 99, 3318-3326.
27. [7c] The degree of distortion was calculated by using the dihedral angle method described in ref. [7a,7b] All nine dihedral angles and the values for the reference geometry of the ideal square pyramid given in ref. [7a] were considered for this calculation.
28. s symmetry).
29. 1 symmetry).
30. As the equipotential surface around the local minimum 13c is quite flat, further calculations with a larger basis set have to be performed to determine the Berry-type transition state which is expected to connect the two minima 13a and 13c. In the case of the anionic model species 14, a related transition state could be found (see ref. [4]).
31. The caclulated transition state 13d is not needed to realize the Λ/Δ-isomerization according to Figure 7.
32. G. M. Sheldrick, SHELXS-97, University of Göttingen, Germany, 1997; G. M. Sheldrick, Acta Crystallogr., Sect. A 1990, 46, 467-473.
33. G. M. Sheldrick, SHELXS-97, University of Göttingen, Germany, 1997; G. M. Sheldrick, Acta Crystallogr., Sect. A 1990, 46, 467-473.
34. G. M. Sheldrick, SHELXL-97, University of Göttingen, Germany, 1997.
35. S. Braun, H.-O. Kalinowski, S. Berger, 100 and More Basic NMR Experiments, VCH, Weinheim, 1996, pp. 115-117.
36. U. Weber, H. Thiele, NMR Spectroscopy: Modern Spectral Analysis, Wiley-VCH, Weinheim, 1998, pp. 339-361.
37. Program system TURBOMOLE: R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kömel, Chem. Phys. Lett. 1989, 162, 165-169. Optimized SVP basis sets used (in this context, see also: R. Tacke, J. Becht, O. Dannappel, R. Ahlrichs, U. Schneider, W. S. Sheldrick, J. Hahn, F. Kiesgen, Organometallics 1996, 175, 2060-2077): Si, (10s7p1d)/[4s3p1d]; C, N, and O, (7s4p1d)/ [3s2p1d]; H, (4s1p)/[2s1p].
38. Program system TURBOMOLE: R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kömel, Chem. Phys. Lett. 1989, 162, 165-169. Optimized SVP basis sets used (in this context, see also: R. Tacke, J. Becht, O. Dannappel, R. Ahlrichs, U. Schneider, W. S. Sheldrick, J. Hahn, F. Kiesgen, Organometallics 1996, 175, 2060-2077): Si, (10s7p1d)/[4s3p1d]; C, N, and O, (7s4p1d)/ [3s2p1d]; H, (4s1p)/[2s1p].