NMR STUDY OF LANTHANIDE ION SOLVATION AND COMPLEXATION

镧系离子溶解和络合的核磁共振研究

• 批准号: 3438491
• 负责人: ANTHONY FRATIELLO
• 金额: $ 6.83万
• 依托单位: CALIFORNIA STATE UNIVERSITY LOS ANGELES
• 依托单位国家: 美国
• 财政年份: 1986
• 资助国家: 美国
• 起止时间: 1986-09-15 至 1988-12-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3438491
• 关键词: cations; chemical structure function; metal complex; nuclear magnetic resonance spectroscopy; rare earth element

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-1, carbon-13, and 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 ion 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.

该项目的长期目标是定量确定 三价键的溶剂化和离子对络合物的形成性质 镧系金属离子。实验技术将涉及直接 氢-1对阳离子及其初级溶剂化壳层的观测， 碳-13和金属-离子核磁共振波谱 使用多核、超导、傅里叶变换400 MHz 分光计。这一观察结果将允许准确地确定 与离子结合的水分子数量的值，范围 在水溶剂混合物中的竞争溶剂化，程度 内壳层离子配对和产生的物种的组成 不同阴离子的溶液，以及局域电子和分子 离子本身的环境。测量将在液体中进行 和固态以提供对最大离子配位的评估 数字，影响这些值的因素，协调的变化 序列中的数量，以及存在的物种的结构。这 出于各种原因，需要有关镧系元素的信息。这些 离子在许多工业过程中被用作化学变换试剂。 在对生化系统的核磁共振研究中，随着越来越多的探针在 大分子结构和反应机理的研究。