Ghosh Dipankar, Bjornsson Ragnar, Damodaran Krishna K
Department of Chemistry, Science Institute, University of Iceland, Dunhagi 3, 107 Reykjavík, Iceland.
Department of Inorganic Spectroscopy, Max-Planck-Institut für Chemische Energiekonversion, Campus de Stiftstrasse 34-36, 45470 Mülheim an der Ruhr, Germany.
Gels. 2020 Nov 20;6(4):41. doi: 10.3390/gels6040041.
The role of specific interactions in the self-assembly process of low molecular weight gelators (LMWGs) was studied by altering the nonbonding interactions responsible for gel formation via structural modification of the gelator/nongelator. This was achieved by modifying pyridyl moieties of bis(pyridyl) urea-based hydrogelator () and the isomer () to pyridyl -oxide compounds ( and , respectively). The modification of the functional groups resulted in the tuning of the gelation properties of the parent gelator, which induced/enhanced the gelation properties. The modified compounds displayed better mechanical and thermal stabilities and the introduction of the -oxide moieties had a prominent effect on the morphologies of the gel network, which was evident from the scanning electron microscopy (SEM) images. The effect of various interactions due to the introduction of -oxide moieties in the gel network formation was analyzed by comparing the solid-state interactions of the compounds using single crystal X-ray diffraction and computational studies, which were correlated with the enhanced gelation properties. This study shows the importance of specific nonbonding interactions and the spatial arrangement of the functional groups in the supramolecular gel network formation.
通过对凝胶剂/非凝胶剂进行结构修饰，改变负责凝胶形成的非键相互作用，研究了特定相互作用在低分子量凝胶剂（LMWGs）自组装过程中的作用。这是通过将双（吡啶基）脲基水凝胶剂（）和异构体（）的吡啶基部分分别修饰为吡啶氧化物化合物（和）来实现的。官能团的修饰导致了母体凝胶剂凝胶化性质的调整，从而诱导/增强了凝胶化性质。修饰后的化合物表现出更好的机械和热稳定性，并且引入氧化物部分对凝胶网络的形态有显著影响，这从扫描电子显微镜（SEM）图像中可以明显看出。通过使用单晶X射线衍射和计算研究比较化合物的固态相互作用，分析了由于在凝胶网络形成中引入氧化物部分而产生的各种相互作用的影响，这些相互作用与增强的凝胶化性质相关。这项研究表明了特定非键相互作用和官能团在超分子凝胶网络形成中的空间排列的重要性。
