Raman spectroscopy and DFT calculations of intermediates in the hydrolysis of methylmethoxysilanes

被引：12

作者：

Bennett, Martin D. ^{[1
]}

Wolters, Christopher J. ^{[1
]}

Brandstadt, Kurt F. ^{[2
]}

Tecklenburg, Mary M. J. ^{[1
]}

机构：

[1] Cent Michigan Univ, Dept Chem, Mt Pleasant, MI 48859 USA

[2] Dow Corning Corp, Midland, MI 48686 USA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2012年 / 1023卷

关键词：

Methylmethoxysilane; Silanol; Hydrolysis; Intermediates; Raman spectroscopy; DFT calculations; VIBRATIONAL-SPECTRUM; FORCE-FIELD; METHOXYSILANES; SILICA; CARBON; NMR;

D O I：

10.1016/j.molstruc.2012.06.008

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A series of methylmethoxysilanes (tetramethoxysilane, methyltrimethoxysilane, dimethyldimethoxysilane, and trimethylmethoxysilane) underwent hydrolysis and condensation in aqueous solutions at circum-neutral pH while the reaction was monitored by Raman spectroscopy. The SiO and SiC stretches of the silanes were vibrationally coupled so that a single intense peak was observed in that region of the Raman spectra. The SiO/SiC stretch was assigned for all of the solvated reactants and silanol intermediates and products of each hydroysis step in solutions of low ionic strength and neutral pH. Assignments compared favorably with vibrational frequencies calculated by a DFT method. (c) 2012 Elsevier B.V. All rights reserved.

引用

页码：204 / 211

页数：8

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