Investigation of the reaction of the Direct Synthesis of alkoxysilanes and organoalkoxysilanes from silicon, alcohols and ethers by quantum chemistry methods.
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Abstract
The molecular and electronic structures and thermodynamic parameters of the reagents and the products of the Direct Synthesis Reaction of alkoxysilanes and organoalkoxysilanes from silicon, alcohols and ethers were calculated by the Hartree-Fock, DFT (including B3LYP/6-311+G**) and other methods of computational chemistry.
Keywords
547.245; 247.07
About the Authors
S. P. Knyazev
МИТХТ им. М.В. Ломоносова, 119571, Москва, пр-т Вернадского, д. 86
Russian Federation
Russian Federation
A. D. Kirilin
МИТХТ им. М.В. Ломоносова, 119571, Москва, пр-т Вернадского, д. 86
Russian Federation
Russian Federation
E. A. Chernyshov
МИТХТ им. М.В. Ломоносова, 119571, Москва, пр-т Вернадского, д. 86
Russian Federation
Russian Federation
P. A. Storozhenko
Государственный научный центр РФ Научно-исследовательский институт химии и
технологии элементоорганических соединений
Russian Federation
Russian Federation
References
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Review
For citations:
Knyazev S.P., Kirilin A.D., Chernyshov E.A., Storozhenko P.A. Investigation of the reaction of the Direct Synthesis of alkoxysilanes and organoalkoxysilanes from silicon, alcohols and ethers by quantum chemistry methods. Fine Chemical Technologies. 2009;4(6):75-82. (In Russ.)
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ISSN 2410-6593 (Print)
ISSN 2686-7575 (Online)
ISSN 2686-7575 (Online)
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