METAL ION COMPLEXATION

本研究的目的是定量测定 三价镧系元素阳离子的配位和络合性质， 以及随后将这些信息应用于这些研究 具有生理重要性的配体的离子。 使用镧系元素 广泛用作核磁共振（NMR）化学位移试剂， 需要金属离子活性的生物系统的探针，如结合 具有离子载体和生物配体的试剂，并且在许多工业中， 流程. 所要求的信息包括最大协调数 在我们的测量条件下;确定变化，如果有的话， 通过镧系元素的这个值;竞争的程度 溶剂化及其与配体性质的相关性; 内壳层络合及其对阴离子和溶剂性质的依赖性; 并且在所有情况下，定量测定的结构的 物种在溶液中 所用的实验技术允许直接观察核磁共振 初级阳离子溶剂化壳层中组分的信号， 具体地，溶剂配体、阴离子，以及在某些体系中，金属离子 例如镧。 反过来，这些观察导致了 上述镧系元素配位性质的定量评价 以上 测量将使用Bruker AM-400多核， 超导傅里叶变换核磁共振光谱仪 根据盐的不同 和溶剂系统，化学位移，面积和线宽技术， 1H、13 C、15 N、31 P、35 Cl、81 Br、127 I和金属- 离子核。 其中大部分的可行性测量 原子核已经被制造出来了。

The objectives of this research are the quantitative determination of the coordination and complexing properties of the trivalent lanthanide cations, and the subsequent application of this information to the study of these ions with ligands of physiological importance. the lanthanides are used extensively as nuclear magnetic resonance (NMR) chemical shift reagents, as probes of biological systems requiring a metal-ion for activity, as binding agents with ionophores and biological ligands, and in numerous industrial processes. The information sought includes the maximum coordination number at our conditions of measurement; the determination of variations, if any, of this value through the lanthanide series; the extent of competitive solvation and its correlation with ligand properties; the presence of inner-shell complexing and its dependence on anion and solvent properties; and in all cases, the quantitative determination of the structures of the species in solution. The experimental techniques to be used permit the direct observation of NMR signals for the components in the primary cation solvation shell, specifically, solvent ligands, anions, and in some systems, the metal ion itself, for example, lanthanum. In turn, these observations lead to the quantitative evaluation of the lanthanide coordination properties mentioned above. The measurements will be made using a Bruker AM-400 multinuclear, superconducting, Fourier transform NMR spectrometer. Depending on the salt and solvent system, the chemical shift, area, and linewidth techniques to be applied will involve the 1H, 13C, 15N, 31P, 35Cl, 81Br, 127I, and metal- ion nuclei where possible. Feasibility measurements with most of these nuclei have already been made.