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Theoretical and Experimental Insights into the Self‐Assembly and Ion Response Mechanisms of Tripodal Quinolinamido‐Based Supramolecular Organogels
Author(s) -
Li ZhaoHui,
Yang HaiLong,
Adam Khalid Mohammed,
Yao Hong,
Wei TaiBao,
Zhang YouMing,
Lin Qi
Publication year - 2021
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.202000789
Subject(s) - supramolecular chemistry , self assembly , fluorescence , supramolecular assembly , supramolecular polymers , chemistry , ion , nanotechnology , quantum chemistry , mechanism (biology) , materials science , crystallography , organic chemistry , crystal structure , quantum mechanics , philosophy , physics , epistemology
The exploration and understanding of self‐assembly and stimuli‐responsive mechanisms of supramolecular systems are of fundamental importance for researchers to plan syntheses reasonably. Herein, the self‐assembly and ions responsive mechanisms of a tripodal quinolinamido‐based supramolecular organogel ( TBT ‐gel) were investigated through experiments and theoretical calculations including independent gradient model (IGM), localized orbitals locator (LOL) and hole‐electron theory. According to these studies, the self‐assembly mechanism of TBT ‐gel was based on strong threefold H‐bonding and π–π interactions, which induced the TBT forming helical, one‐dimensional supramolecular polymer. After addition of Fe 3+ into the TBT ‐gel, the one‐dimensional supramolecular polymer had been crosslinked by the Fe 3+ through coordination interaction and formed a metallogel ( TBT ‐Fe‐gel). Interestingly, the TBT ‐gel showed selective fluorescent response for Fe 3+ and F − based on a competitive coordination mechanism. Moreover, the study on fluorescence responsive mechanism of TBT ‐gel for Fe 3+ and F − implied the ICT mode governs both the electron excitation and de‐excitation processes. The calculated results were in agreement with the corresponding experimental results. Notably, the quantum chemical calculations provided a deep understanding and visualized presentation of the assembly and stimuli‐responsive mechanisms.