Exploring the Mechanism for the Synthesis of Silsesquioxanes. 4. The Synthesis of T8

Exploring the Mechanism for the Synthesis of Silsesquioxanes. 4. The Synthesis of T8

In an attempt to explore the mechanism for the synthesis of silsesquioxanes (POSS), the entire reaction processes from HSi(OH)3 to T8, one of the most common and stable POSS was investigated with electronic structure theory calculations, including electron correlation effects. In addition, the effec...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2005-06, Vol.109 (24), p.5424-5429
Hauptverfasser: Kudo, Takako, Machida, Kazuya, Gordon, Mark S
Format: Artikel
Sprache:eng
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Zusammenfassung:In an attempt to explore the mechanism for the synthesis of silsesquioxanes (POSS), the entire reaction processes from HSi(OH)3 to T8, one of the most common and stable POSS was investigated with electronic structure theory calculations, including electron correlation effects. In addition, the effect of some controlling factors, which play important roles in the reaction mechanism, is discussed.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp040731b