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首页> 外文期刊>RSC Advances >A statistical physics study of the interaction of [7]-helicene with alkali cations (K+ and Cs+): new insights on microscopic adsorption behavior
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A statistical physics study of the interaction of [7]-helicene with alkali cations (K+ and Cs+): new insights on microscopic adsorption behavior

机译：[7]-螺旋烯与碱金属阳离子（K + 和Cs + ）相互作用的统计物理研究：微观吸附行为的新见解

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The adsorption of a metal ion to a polycyclic aromatic molecule such as helicene is the object of our study. The latter could function as a chiral molecular clamp for the cationic alkali metal. The main contribution of this work is to attribute new microscopic interpretations for the adsorption of potassium and cesium ions onto a thin layer of helicene achieved by the QCM technique. Throughout the grand canonical ensemble and some theoretical considerations, statistical physics processing has been used for modeling of experimental adsorption isotherms. A new model has been developed and chosen as an appropriate one to present a good correlation with experimental isotherms. Six physico-chemical parameters are obtained from the fitting of the experimental adsorption isotherms. Thanks to the steric parameters, we have found that an increase in temperature promotes a rise in the numbers of ions per site n1 and n2 and raises the adsorption capacities NM1 and NM2. The two energetic parameters c1 and c2 allow deduction of the adsorption energies at four temperatures. It is found from the calculated energies that physical adsorption takes place; the helicene can function as potassium and cesium captor and the K+–helicene complex is more stable than the Cs+–helicene complex.
机译：将金属离子吸附到多环芳族分子（例如lic烯）上是我们研究的目标。后者可用作阳离子碱金属的手性分子钳。这项工作的主要贡献是归因于通过QCM技术获得的新的微观解释，将钾和铯离子吸附到薄层的螺旋烯上。贯穿整个正则合奏和一些理论上的考虑，统计物理处理已用于模拟实验吸附等温线。已经开发出一种新模型并将其选择为合适的模型，以与实验等温线呈现良好的相关性。从实验吸附等温线的拟合中获得了六个理化参数。由于空间参数，我们发现温度的升高会促进每个位点 n 1 和 n 2 并提高吸附容量 N M1 和 N M2 。两个能量参数 c 1 和 c 2 允许在四个温度下降低吸附能。从计算出的能量中发现发生了物理吸附。 lic烯可作为钾和铯的捕获剂，而K + -螺旋结构比Cs + -螺旋烯复合物。

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