Empirical calculations of 29Si NMR chemical shielding tensors: A partial charge model investigation of hydrolysis in organically modified alkoxy silanes

Physical Chemistry Chemical Physics

Volumn 2, Issue 1, 2000, Pages 23-28

  Alam, Todd M ^a   Henry, Marc ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

SILANE;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL ANALYSIS; ESTERIFICATION; HYDROLYSIS; NUCLEAR MAGNETIC RESONANCE; POLYMERIZATION; STRUCTURE ACTIVITY RELATION;

EID: 0033956036     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a906445a     Document Type: Article

References (31)

1. 1 R. J. Hook, J. Non-Cryst. Solids, 1996, 195, 1.
2. 2 T. M. Alam, R. A. Assink and D. A. Loy, Chem. Mater., 1996, 8, 2366.
3. 3 Y. Sugahara, T. Inoue and K. Kuroda, J. Mater. Chem., 1997, 7, 53.
4. 4 F. Brunet, J. Non-Cryst. Solids, 1998, 231, 58.
5. 5 T. M. Alam, R. A. Assink, S. Prabakar and D. A. Loy, Magn. Reson. Chem., 1996, 34, 603.
6. 6 T. M. Alam, Spectrochim. Acta Part A, 1997, 53, 545.
7. 7 P. Lux, F. Brunet, H. Desvaux and J. Virlet, J. Chim. Phys., 1994, 91, 409.
8. 8 P. Lux, F. Brunet, J. Virlet and B. Cabane, Magn. Reson. Chem., 1996, 34, 100.
9. 9 P. Lux, F. Brunet, J. Virlet and B. Cabane, Magn. Reson. Chem., 1996, 34, 173.
10. 10 J. F. Hinton, P. L. Guthrie, P. Pulay and K. Wolinski, J. Magn. Reson., 1993, 103, 188.
11. 11 D. Cremer, L. Olsson and H. Ottosson, J. Mol. Struct. (THEOCHEM.), 1994, 313, 91.
12. 12 H. Nakatsuji, T. Nakajima, M. Hada, H. Takashima and S. Tanaka, Chem. Phys. Lett., 1995, 247, 418.
13. 13 R. Wolff and R. Radeglia, J. Mol. Struct. (THEOCHEM.), 1994, 313, 111.
14. 14 D. Kovacek, Z. B. Maksic, S. Elbel and J. Kudnig, J. Mol. Struct. (THEOCHEM.), 1994, 304, 247.
15. 15 G. Englehardt, R. Radeglia, H. Jancke, E. Lippmaa and M. Mägi, Org. Magn. Reson., 1973, 5, 561.
16. 29Si Chemical Shifts, ed. M. Henry, C. Gerardin and F. Taulelle, Materials Research Society, San Francisco, CA, 1992, vol. 271, p. 243.
17. 17 D. T. Pegg, D. M. Doddrell and M. R. Bendall, J. Chem. Phys., 1982, 77, 2745.
18. 18 S. G. Bratsch, J. Chem. Educ., 1988, 65, 34.
19. 19 J. C. Slater, J. Chem. Phys., 1964, 41, 3199.
20. 20 M. Karplus and T. P. Das, J. Chem. Phys., 1961, 34, 1683.
21. 21 A. Abragam, in Principles of Nuclear Magnetism, ed. R. K. Adair, R. J. Elliot, W. C. Marshall and D. H. Wilkinson, Clarendon Press, Oxford, 1961, p. 599.
22. 22 A. Carrington and A. D. McLachlan, in Introduction to Magnetic Resonance, ed. S. A. Rice, Harper & Row, New York, 1967, p. 266.
23. 23 W. H. Flygare and J. Goodisman, J. Chem. Phys., 1968, 49, 3122.
24. 24 A. Velenik and R. M. Lynden-Bell, Mol. Phys., 1970, 19, 371.
25. 25 R. G. Parr, R. A. Donnelly, M. Levy and W. E. Palke, J. Chem. Phys., 1978, 68, 3801.
26. 26 R. G. Pearson, Coord. Chem. Rev., 1990, 100, 403.
27. 27 M. Henry, Coord. Chem. Rev., 1998, 170-180, 1109.
28. 28 K. M. S. Saxena and P. T. Narasimhan, Int. J. Quantum Chem., 1967, 1, 731.
29. 29 W. B. Moniz and C. F. Poranski, J. Magn. Reson., 1973, 11, 62.
30. 30 C. J. Jameson and A. K. Jameson, Chem. Phys. Lett., 1988, 149, 300.
31. 31 M. G. Gibby, A. Pines and J. S. Waugh, J. Am. Chem. Soc., 1972, 94, 6231.