Vibrational analysis of polyaniline: A model compound approach
Vibrational analysis of polyaniline: A model compound approach
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DOI：
10.1021/jp972652o
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发表时间：
1998-09-17
影响因子：
3.3
通讯作者：
Lefrant, S
中科院分区：
文献类型：
--
作者：
Boyer, MI;Quillard, S;Lefrant, S
在这项工作中，我们使用了低聚物模型化合物的方法来理解聚苯胺的主要形式的振动光谱。用拉曼光谱和红外光谱对选定的模型化合物进行了研究。通过揭示分子之间的关系，将观察到的振动带分配给预期的模式。在更具理论意义的部分，给出了不同模型化合物及其相关聚合物的动力学计算。只要我们假设参数可以转移到聚合物形式，模型化合物的使用就允许我们获得更好的力常数组。讨论了这些力常数值与聚苯胺的氧化态及其相应的几何结构的关系。
In this work, we have used an oligomer model compound approach for the understanding of the vibrational spectra of the principal forms of polyaniline. Selected model compounds have been studied by Raman and infrared (IR) spectroscopies. The observed vibrational bands are assigned to the expected modes, by revealing the relationships between molecules. In a more theoretical part, dynamical calculations on the different model compounds and their related polymers are presented. The use of model compounds allows us to reach better sets of force constants, as soon as we assume that the parameters can be transferred to the polymeric forms. The obtained values of these force constants are discussed in regards to the oxidation state of polyaniline and its corresponding geometrical structure.