METAL ION COMPLEXATION

本项目的长期目标是定量 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。 的 实验技术将涉及直接观察 阳离子及其主要溶剂化壳层由氢-I，碳-13， 和抗磁性金属离子核磁共振（NMR） 使用多核超导傅立叶光谱 变换400 MHz频谱仪。 这一观察将使 水分子数精确值的测定 结合到离子，在水溶液中的竞争性溶剂化的程度 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质的组成 阴离子，以及局部电子和分子，环境 离子本身。 测量将在液体和固体中进行 国家提供最大协调评价 数字，影响这些值的因素， 系列中的配位数和物种的结构 礼物 这一信息是需要为镧系元素的一个 各种各样的原因。 这些离子被用于许多工业领域。 过程，作为NMR研究中的化学位移试剂， 生物化学系统，并越来越多地，作为探针的研究， 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.