荧光
等温滴定量热法
等温过程
环糊精
量热法
1-萘酚
动力学(音乐)
分子动力学
化学
光化学
材料科学
物理化学
热力学
计算化学
有机化学
光学
物理
声学
作者
Tousif Hossen,Kalyanasis Sahu
标识
DOI:10.1021/acs.jpcb.9b05457
摘要
Fluorescence response of a photoacid inside a confined environment often differs markedly from the bulk response. Is there any correlation between the extent of fluorescence modulation and the strength of the photoacid? Here, we used three photoacids: 2-naphthol (2OH, pKa* = 3.3), 6-sulfonate-2-naphthol (6SO3-2OH, pKa* = 3.06), and 6-cyano-2-naphthol (6CN-2OH, pKa* = 0.6) with remarkably different excited-state acidities to investigate fluorescence modulation inside the nanocavity of β-cyclodextrin (β-CD). Interestingly, we found strong fluorescence modulation for 2OH and 6SO3-2OH but almost none for 6CN-2OH. Isothermal calorimetry measurements showed that all three fluorophores form 1:1 inclusion complex with comparable binding constants (285, 420, and 580 M-1 for 2OH, 6SO3-2OH, and 6CN-2OH, respectively). Molecular dynamics simulation further revealed that binding modes are quite similar, and the distribution of water molecules around the proton-donating hydroxyl group of the photoacids are also comparable. Consequently, the difference in the fluorescence response should be accounted solely to the difference in the photoacidity strengths.
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