Dipartimento di Scienze del Farmaco, Università G. d'Annunzio, Chieti, Italy.
Phys Chem Chem Phys. 2011 Jun 21;13(23):11373-83. doi: 10.1039/c1cp20140a. Epub 2011 May 16.
The 1-hexadecyl-3-vinylimidazolium bromide (hvimBr), a water-soluble long-chain imidazolium ionic liquid (IL) with surfactant properties, showed the ability to produce stable homogeneous aqueous dispersions of pristine Single-Walled Carbon Nanotubes (SWNTs). The purpose of this study is the improvement of SWNT dispersing ability by assessing the effect of different groups in position 3 of the imidazole ring. In this regard structural analogues were synthesized and, after characterization, their capability to dissolve SWNTs in water was investigated. Molecular Dynamics (MD) simulations have been performed to provide a semi-quantitative indication of the affinity of each dispersing agent toward SWNT and to attempt an explanation of the experimental results.
1-十六烷基-3-乙烯基咪唑溴盐（hvimBr）是一种具有表面活性剂性质的水溶性长链咪唑离子液体（IL），它能够生成稳定均一的原始单壁碳纳米管（SWNTs）的水相分散体。本研究的目的是通过评估咪唑环 3 位上不同取代基对 SWNTs 分散能力的影响来改善 SWNTs 的分散能力。为此，合成了结构类似物，并对其进行了表征，然后考察了它们在水中溶解 SWNTs 的能力。还进行了分子动力学（MD）模拟，以提供每个分散剂与 SWNT 亲和力的半定量指示，并尝试解释实验结果。
