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Controlled synthesis of perfluoroary functionalized hybrid materials for optical applications based on NMR spectroscopy and molecular modeling

机译:基于NMR光谱和分子建模的基于NMR光学应用的全氟官能化混合材料的控制合成

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The synthesis of ORMOCERs (inorganic-organic polymers) for optical applications is studied in detail. Producing waveguide materials with the desired low optical losses at wavelengths of 1310 and 1550 nm requires a thorough control of the initial inorganic network formation, because absorption losses are particularly due to Si-OH bonds beside aliphatic C-H bonds. Therefore, the synthesis of UV- or thermally curable organopolysiloxane resins with minimized Si-OH content is crucial. The investigation of the sol-gel reaction of organoalkoxysilanes by 29{sup left}Si-NMR spectroscopy provides a detailed insight into the influence of reaction conditions on the species and networks formed. Reaction parameters were optimized towards the formation of ORMOCER resins suitable for waveguide applications. Finally, the material synthesis is completed by crosslinking organically polymerizable units present in the ORMOCER resin to establish the inorganic-organic hybrid network. The experimental work is accompanied by computational chemistry. Calculating electronic properties is of value in predicting silane reactivities as well as spectroscopic data of intermediates. Molecular modeling is a convenient tool for the visualization of structural details on the molecular level.
机译:详细研究了用于光学应用的锰铁(无机 - 有机聚合物)的合成。在波长为1310和1550nm处产生具有所需低光学损耗的波导材料需要彻底控制初始无机网络形成,因为吸收损失特别是由于脂族C-H键旁边的Si-OH键合。因此,具有最小化的Si-OH含量的UV-或热固化有机聚硅氧烷树脂的合成至关重要。有机烷氧基硅烷溶胶 - 凝胶反应的研究〜29 {sup左} Si-NMR光谱提供了对反应条件对所形成的物种和网络的影响的详细洞察。针对适用于波导应用的镁器树脂的形成优化了反应参数。最后,通过交联在杂种树脂中的有机聚合单元来完成材料合成以建立无机 - 有机混合网络。实验工作伴随着计算化学。计算电子性质在预测硅烷重量以及中间体的光谱数据中具有值。分子造型是一种方便的刀具,用于可视化分子水平的结构细节。

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