Energetics of Substituent and Solvent Effects

取代基和溶剂效应的能量学

• 批准号: 8718790
• 负责人: Robert Taft
• 金额: $ 22.75万
• 依托单位: University of California-Irvine
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-01-01 至 1991-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8718790&HistoricalAwards=false
• 关键词: Energetics; Substituent; Solvent; Effects

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.

有机和高分子化学的这项资助提供了 支持罗伯特塔夫脱博士的工作， 加州，欧文。这项工作的重点是了解和 定量预测结构和溶剂的影响 有机分子的酸碱性。 酸度被认为是在最广泛的意义上，其中包括 氢键供体和金属离子以及质子-电子 成对受体 气相研究将用于评估和 处理分子结构和溶剂的内在影响 方面的影响. 这些成果为促进 理论溶剂对有机物反应速率的影响 分子是这项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中。 后者 包括有机合成方法的改进， 有机金属化学，药物设计， 污染物的毒性，在液体中的溶解度，聚合物 生物液体和组织，以及燃料化学 细胞