Mechanism of silsesquioxane growth

文献情報

出版日 2002-02-06

DOI 10.1039/B107803H

インパクトファクター 3.676

著者

Karl Jug, Igor P. Gloriozov

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要旨

The mechanism of silsesquioxane growth is studied with an insertion mechanism analogous to the one previously proposed for fullerene growth. Isomers of hydridosilsesquioxanes SinO3n/2Hn with different symmetry are presented for n = 24–48 to understand the reaction pathways between highly symmetric structures from n = 24 (D6d) to n = 36 (D6h) and n = 48 (D6d) which can be considered as precursors of nanotubes. A representative calculation for the growth of Si30O45H30 to Si32O48H32 is performed with the MSINDO method. The stepwise reaction involves three intermediates and four transition structures. The studies explain the recent experimental evidence for the existence of silsesquioxanes with up to 38 Si atoms in solution.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Mechanism of silsesquioxane growth

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Physical Chemistry Chemical Physics

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