IR Spectroscopy of Protonation in Benzene–Water Nanoclusters: Hydronium, Zundel, and Eigen at a Hydrophobic Interface,Journal of the American Chemical Society

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IR Spectroscopy of Protonation in Benzene–Water Nanoclusters: Hydronium, Zundel, and Eigen at a Hydrophobic Interface
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2012-07-27 , DOI: 10.1021/ja3038245
Timothy C. Cheng ₁ , Biswajit Bandyopadhyay ₁ , Jonathan D. Mosley ₁ , Michael A. Duncan ₁

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The structure of ions in water at a hydrophobic interface influences important processes throughout chemistry and biology. However, experiments to measure these structures are limited by the distribution of configurations present and the inability to selectively probe the interfacial region. Here, protonated nanoclusters containing benzene and water are produced in the gas phase, size-selected, and investigated with infrared laser spectroscopy. Proton stretch, free OH, and hydrogen-bonding vibrations uniquely define protonation sites and hydrogen-bonding networks. The structures consist of protonated water clusters binding to the hydrophobic interface of neutral benzene via one or more π-hydrogen bonds. Comparison to the spectra of isolated hydronium, zundel, or eigen ions reveals the inductive effects and local ordering induced by the interface. The structures and interactions revealed here represent key features expected for aqueous hydrophobic interfaces.

中文翻译：

苯-水纳米团簇中质子化的红外光谱：疏水界面处的水合氢、Zundel 和本征

疏水界面处水中离子的结构影响整个化学和生物学的重要过程。然而，测量这些结构的实验受到存在的配置分布和无法选择性探测界面区域的限制。在这里，含有苯和水的质子化纳米团簇在气相中产生，尺寸选择，并用红外激光光谱进行研究。质子拉伸、游离 OH 和氢键振动独特地定义了质子化位点和氢键网络。该结构由通过一个或多个 π-氢键与中性苯的疏水界面结合的质子化水簇组成。与孤立的水合氢、zundel 或本征离子的光谱的比较揭示了界面诱导的感应效应和局部排序。

更新日期：2012-07-27

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