METAL ION COMPLEXATION

这个项目的长期目标是量化 溶剂化和离子对络合物形成的测定 三价镧系金属离子的性质。这个 实验技术将包括直接观察 氢-I，碳-13的阳离子及其初级溶剂化壳层， 和抗磁性金属离子核磁共振(核磁共振) 使用多核超导傅立叶光谱学 改造400兆赫光谱仪。这一观察结果将允许 水分子数精确值的测定 与离子结合，在水溶液中竞争溶剂化的程度 溶剂混合物、内壳层离子配对的程度和 在不同的溶液中产生的物种的组成 阴离子，以及当地的电子和分子环境 离子本身。测量将在液体和固体中进行 国家提供对最高协调情况的评估 数字，影响这些值的因素，变化 系列中的配位数，以及物种的结构 现在时。这一信息对于镧系元素来说是必要的 原因多种多样。这些离子被用于许多工业中 在核磁共振研究中作为化学位移试剂的工艺 生化系统，并越来越多地作为研究的探针 大分子结构和反应机理。

The long-range goal of this project is the quantitative determination of the solvation and ion-pair complex formation properties of the trivalent lanthanide metal-ions. The experimental technique will involve the direct observation of the cation and its primary solvation shell by hydrogen-I, carbon-13, and diamagnetic metal-ion nuclear magnetic resonance (NMR) spectroscopy using a multinuclear, superconducting, Fourier transform 400 MHz spectrometer. This observation will permit the determination of accurate values of the number of water molecules bound to the ion, the extent of competitive solvation in aqueous solvent mixtures, the extent of inner-shell ion-pairing and the composition of the species produced in solutions of different anions, and the local electronic and molecular, environment of the ion itself. The measurements will be made in the liquid and solid state to provide an evaluation of the maximum on coordination numbers, the factors which affect these values, variations of coordination number in the series, and the structure of the species present. This information is needed for the lanthanides for a variety of reasons. These ions are used in numerous industrial processes, as chemical shift reagents in NMR studies of biochemical systems, and increasingly, as probes in studies of macromolecular structures and reaction mechanisms.