Interionic Structure of Ion Pairs. Hydration Effects in Molecular Electronic Spectra of Laser Dyes.

有机和高分子化学项目的资助 支持Ernest Grunwald教授的研究，该研究旨在增加 了解化学结构的两个重要方面 在溶液中的反应性：（1）离子的电子结构 对，通过其电偶极矩分析;以及（2） 溶液中疏水相互作用和溶剂结构， 激光染料的光谱研究。 不过，这两个研究领域 与实验无关，对于促进对 离子溶液中的动态化学现象。 离子对项目是一个研究的延续， 迄今为止，基金会赠款CHE-8310130， 在建立实验和理论基础方面取得了进展 演绎出了一种新的结构。 主要方法是 目前的工作是分析电偶极矩 的改性苯胺磺酸盐， 取代基。 第二个项目将使用 激光染料吸收和发射光谱中的介质效应. 高压（高达7 kbar），以筛选出水合作用的贡献 能源转型。 结果解读 将提供有关水结构的重要信息 网络在水溶液中。

This grant in the Organic and Macromolecular Chemistry Program supports research by Prof. Ernest Grunwald, which aims at increasing chemical understanding of two important aspects of chemical structure and reactivity in solution: (1) the interionic structure of ion pairs, as analyzed by their electric dipole moments; and (2) hydrophobic interactions and solvent structure in solution, via spectroscopic studies of laser dyes. Both areas of research, though experimentally unrelated, are important for advancing understanding of dynamic chemical phenomena in ionic solutions. The ion-pair project is a continuation of research supported heretofore by Foundation grant CHE-8310130, under which steady progress was made toward creating an experimental and theoretical base of deduction of interionic structures. The principal methodology to be employed in the current work is analysis of electric dipole moments of modified anilinium sulfonates with strategically located substituent groups. The second project will use the comparison of medium effects in absorption and emission spectra of laser dyes at high pressure (up to 7 kbar) to sort out the contribution of hydration energies to transition energies. The interpretation of the results will provide critical information on the structure of the water network in aqueous solutions.