Mechanism of the catalytic activity of nucleophiles in the stepwise hydrolysis and condensation reactions of tetramethoxysilane

ChemPhysChem

Volumn 10, Issue 6, 2009, Pages 940-945

  Ignatyev, Igor S ^b   Montejo, Manuel ^a   González, Juan Jesús López ^a  

^a UNIVERSITY OF JAÉN   (Spain)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Density functional calculations; Hydrolysis; Nucleophilic catalysts; Reaction mechanisms; Soi gel processes

Indexed keywords

AMMONIA; CATALYST ACTIVITY; CONDENSATION; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; HYDROLYSIS; NUCLEOPHILES;

BASIS SETS; GEL PROCESS; HYDROLYSIS REACTION; HYDROXYL ANIONS; REACTION BARRIER HEIGHTS; REACTION MECHANISM; STEPWISE HYDROLYSIS; TETRAMETHOXYSILANE;

CONDENSATION REACTIONS;

EID: 64749113128     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800784     Document Type: Article

References (21)

1. C. J. Brinker, G.W. Scherer, Sol-Gel Science: The Physics and Chemistry of Sol-Gel Processing, Academic Press, New York, 1989.
2. I. S. Ignatyev, M. Montejo, J. J. López González, Phys. Chem. Chem. Phys. 2009, 11, 841-847
3. a) R. J. P. Corriu, G. Dabosi, M. Martineau, J. Organomet. Chem. 1978, 150, 27-38;
4. b) R. J. P. Corriu, G. Dabosi, M. Martineau, J. Organomet. Chem. 1978, 154, 33-43;
5. c) R. J. P. Corriu, G. Dabosi, M. Martineau, J. Organomet. Chem. 1980, 186, 25-37;
6. d) R. J. P. Corriu, C. Guérin, J. Organomet. Chem. 1980, 198, 231-320;
7. e) R. J. P. Corriu, C. Guérin, Adv. Organomet. Chem. 1982, 20, 265-312;
8. f) C. Chuit, R. J. P. Corriu, C. Reye, J. C. Young, Chem. Rev. 1993, 93, 1371-1448.
9. a) W. Stöber, A. Fink, E. Bohn, J. Colloid Interface Sci. 1968, 26, 62-69;
10. b) M. T. Harris, R. R. Brunson, C. H. Byers, J. Non-Cryst. Solids 1990, 121, 397-403.
11. a) S. M. Jones, J. Non-Cryst. Solids 2001, 291, 206-210;
12. b) K. M. Delak, N. Sahai, J. Phys. Chem. B 2006, 110, 17819-17829;
13. c) N. N. Khimich, Yu. V. Zvyagil'skaya, A. N. Zhukov, O. G. Us'yarov, Russ. J. Appl. Chem. 2003, 76, 875-878.
14. a) S. Okumoto, N. Fujita, S. Yamabe, J. Phys. Chem. A 1998, 102, 3991-3998;
15. b) T. Kudo, M. S. Gordon, J. Am. Chem. Soc. 1998, 120, 11432-11438.
16. a) A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652;
17. b) C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
18. J. S. Binkley, J. A. Pople, Int. J. Quantum Chem. 1975, 9, 229-236.
19. a) D. E. Woon, T. H. Dunning, J. Chem. Phys. 1993, 98, 1358-1371;
20. b) T. H. Dunning, J. Phys. Chem. A 2000, 104, 9062-9080.
21. Gaussian 03 (Revision E.01), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Wallingford, CT, 2004.