Energetics of Substituent and Solvent Effects

这项有机和大分子化学资助为加州大学欧文分校Robert Taft博士的工作提供支持。本工作的重点是了解和定量预测结构和溶剂对有机分子的酸碱度的影响。酸被认为是在最广泛的意义上，包括氢键供体和金属离子以及质子-电子对受体。气相研究将用于评价和处理分子结构和溶剂效应的固有影响。这些结果为理论的发展提供了重要的手段。溶剂对有机分子反应速率的影响是本研究的重要内容之一。这项工作有许多直接的实际应用，特别是在大气化学和凝聚态化学方面。后者包括在合成有机化学和有机金属化学方法、药物设计、污染物毒性分析、液体、聚合物和生物流体和组织的溶解度以及燃料电池化学方面的改进。

This grant in Organic and Macromolecular Chemistry provides support for the work of Dr. Robert Taft, University of California, Irvine. This work is focused on understanding and quantitatively predicting the effects of structure and solvent on the acidities and basicities of organic molecules. Acidities are considered in the broadest sense which includes hydrogen-bond donors and metal ions as well as proton-electron pair acceptors. Gas phase studies will be used to evaluate and treat the inherent effects of molecular structure and solvent effects. Such results provide an important means to advance theory. The effects of solvent on rates of reactions of organic molecules is one of the most important aspects of this study. This work has many immediate practical applications especially in atmospheric and condensed phase chemistry. The latter includes improvements in the methods of synthetic organic and organometallic chemistry, in drug design, in analysis of toxicities of pollutants, in solubilities in liquids, polymers and biological fluids and tissues, and in the chemistry of fuel cells.