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Pulsed gradient spin echo (PGSE) diffusion measurements as a tool for the elucidation of a new type of hydrogen-bonded bicapsular aggregate

机译:脉冲梯度自旋回波(PGSE)扩散测量作为阐明新型氢键双囊聚集体的工具

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摘要

Compounds formed by linking two tris(ureidobenzyl)amine modules with a hexamethylene tether are described. These compounds self-assemble to form bicapsular aggregates featuring two rings of six hydrogen-bonded ureas. H-1 and H-1/H-1 ROESY NMR spectroscopy, together with pulsed gradient spin echo (PGSE) NMR diffusion measurements, have been used to characterize the dimers in solution. The results have been compared with energy-minimized structures. The new compounds are kinetically stable on the NMR timescale, and their thermodynamic stabilities are comparable to other capsular aggregates derived from tris(ureidobenzyl)amines.
机译:描述了通过将两个三(脲基苄基)胺模块与六亚甲基系链连接而形成的化合物。这些化合物自组装形成双胶囊聚集体,其特征是具有两个由六个氢键合的脲组成的环。 H-1和H-1 / H-1 ROESY NMR光谱,以及脉冲梯度自旋回波(PGSE)NMR扩散测量已用于表征溶液中的​​二聚体。将结果与能量最小化的结构进行了比较。新化合物在NMR时标上具有动力学稳定性,其热力学稳定性与衍生自三(脲基苄基)胺的其他荚膜聚集体相当。

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