Proton-Coupled Electron Transfer in the Aqueous Nanochannels of Lyotropic Liquid Crystals: Interplay of H-Bonding and Polarity Effects.
作者： Partha Hazra , Konoya Das , Girish Singh Bisht , Subrahmanyam Sappati
DOI: 10.1021/ACS.JPCLETT.1C00207
关键词:
摘要: A molecular-level description of the aqueous nanochannels in lyotropic liquid crystals (LLCs) is crucial for their widespread utilization diverse fields. Herein, polarity and hydrogen bonding effects LLC water molecules have been simultaneously explored using a single probe, 4'-N,N-dimethylamino-3-hydroxyflavone (DMA3HF), by unique multiparametric sensitivity excited state proton-coupled electron transfer (PCET) phenomenon. The decreased ESIPT efficiency significantly retarded dynamics (>20 times) DMA3HF phases suggests dominant influence strong hydrogen-bonded solute-solvent complexes that leads to high activation barrier mesophases. on elucidated enhanced sampling techniques based classical MD simulations explicit water. via an extended wire associated with barrier, substantiating experimentally observed slow inside LLCs.
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