Energetics of Substituent and Solvent Effects

这项有机和高分子化学方面的拨款为加州大学欧文分校的罗伯特·塔夫特博士的工作提供了支持。这项工作的重点是了解和定量预测结构和溶剂对有机分子酸碱性的影响。酸度被认为是最广义的，它包括氢键供体和金属离子以及质子-电子对受体。气相研究将用于评估和处理分子结构和溶剂效应的内在影响。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最重要的方面之一。这项工作有许多直接的实际应用，特别是在大气和凝聚相化学方面。后者包括在合成有机和有机金属化学方法、药物设计、污染物毒性分析、在液体、聚合物、生物液体和组织中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.