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首页> 外文期刊>Australian Journal of Chemistry: A Journal for the Publication of Original Research in All Branches of Chemistry >Synthesis, Characterization, and Modelling of Novel Multifunctional Acryloyl-Based Monomers: An Experimental and Computational Study
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Synthesis, Characterization, and Modelling of Novel Multifunctional Acryloyl-Based Monomers: An Experimental and Computational Study

机译:新型多功能基于丙烯酰基的单体的合成,表征和建模:实验和计算研究

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摘要

Several novel multifunctional monomers with at least three reactive N-acryloyl double bonds have been synthesized and fully characterized. Quantum-chemical calculations and nuclear magnetic resonance (NMR) spectroscopy have been used to predict the structural dissymmetry of these monomers: the simulation of conformers and the NMR spectrum of monomer (3) allows the explanation of the observed ~(13)C NMR spectra as well as a comparison of the performance of several methods for calculating chemical shifts.
机译:已经合成并充分表征了具有至少三个反应性N-丙烯酰基双键的几种新颖的多官能单体。量子化学计算和核磁共振(NMR)光谱已用于预测这些单体的结构不对称性:构象体的模拟和单体(3)的NMR光谱可解释观察到的〜(13)C NMR光谱以及几种计算化学位移的方法的性能比较。

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