Experimental Mechanistic Studies of Catalytic Reactions

确定反应介质中分子物种分布的变化，以确定底物和催化剂如何过渡到产物释放。原位方法将提供一种在反应过程中监测物种浓度的手段，这可能有助于确定：通过分配中间体和产物确定的任何竞争反应路径；从物种分布中了解催化剂的静止状态；深入了解催化循环中的限速步骤，这将提供一种手段，通过应用VTNA方法来确定任何有助于或干扰循环有效性的因素和与所涉及的分子物种有关的反应顺序。原位方法将主要涉及核磁共振，这本身就是一种无价的定量方法，另外还有一个好处，那就是所研究的核1H和19F具有天然的高丰度。

To identify the change in distribution of molecular species within the reaction media to determine how the substrate and catalyst make their transition to product liberation. In situ methods will provide a means to monitor species concentration over the course of the reaction which may help in identifying; any competing reacting pathways by assignment of their intermediates and products, ; resting state of the catalyst from the species distribution, ; insight into the rate-limiting step within the catalytic cycle, which will provide a means to identify any factors which will assist or perturb the efficacy of the cycle and ; orders of the reaction with respect to molecular species involved by applying the VTNA method. The in situ methods will primarily involve NMR, an invaluable, quantitative method in itself, with the added benefit that the nuclei under scrutiny, 1H and 19F, are of naturally high abundance.