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

这项有机和大分子化学项目资助了Ernest Grunwald教授的研究，旨在增加对化学结构和溶液反应性两个重要方面的化学理解：(1)通过电偶极矩分析离子对的离子间结构；(2)通过激光染料光谱研究溶液中的疏水相互作用和溶剂结构。这两个研究领域虽然在实验上不相关，但对于促进对离子溶液中动态化学现象的理解是重要的。离子对项目是迄今为止由基金会资助CHE-8310130支持的研究的延续，在此基础上，离子对结构推导的实验和理论基础取得了稳步进展。在目前的工作中，主要采用的方法是分析具有战略性取代基的改性苯胺磺酸盐的电偶极矩。第二个项目将利用激光染料在高压（高达7 kbar）下吸收和发射光谱中的介质效应比较，整理水合能对过渡能的贡献。对结果的解释将提供水溶液中水网络结构的关键信息。

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.