A Structural and Thermodynamic Study of Lewis Interactions in Host-Guest Complexation Reactions

这个项目，在实验物理化学计划中，将探索多功能主体与单官能团客体的Lewis酸碱相互作用的热力学。我们将考察酸性和碱性宿主之间的相互作用。溶剂对涉及中性反应物的反应的影响将使用主要研究人员开发的线性自由能关系模型来探索。为这些体系测定的焓和熵将与类似的单官能主体的反应进行比较。在这些研究中使用的技术是量热法和多核核磁共振波谱。刘易斯酸碱模型，在该模型中，一个电子对供体与一个电子对受体发生反应，在解释各种化学反应的区域化学中是最有用的模型之一。热化学数据，如将在这项工作中获得的数据，对相关酸碱的行为具有很大的预测价值。

This project, in the Experimental Physical Chemistry Program, will explore the thermodynamics of Lewis acid-base interactions of polyfunctional hosts with monofunctional guests. Interactions of both acidic and basic hosts will be examined. Solvent effects on reactions involving neutral reactants will be explored using a linear free energy relationship model developed by the principal investigators. The enthalpies and entropies determined for these systems will be compared with those of reactions of similar monofunctional hosts. Techniques to be utilized in these investigations are calorimetry and multinuclear NMR spectroscopy. %%% The Lewis acid-base model, in which an electron pair donor reacts with an electron pair acceptor, is one of the most useful in accounting for the regiochemistry of a wide variety of chemical reactions. Thermochemical data, such as that to be obtained in this work, have great predictive value for the behavior of related acids and bases.