NMR Determination of Electron Spin Level Structure of S>1/2 Transition Metal Ions

在这个由化学部实验物理化学计划资助的项目中，夏普将开发技术来测量总自旋大于1的过渡金属离子的电子自旋相关性质。电子自旋物理将通过核磁共振波谱间接探测。在流动拉伸水凝胶中定向顺磁分子的新方法将得到发展。概念验证实验将在自旋S = 1,3 /2和5/2的顺磁配合物上进行，并用于测试潜在的理论。生物和生化系统通常含有以电子自旋为特征的离子。这些单位的总电子自旋对这些系统的行为起着重要的作用。虽然只有一个不平衡电子自旋的系统理论发展得很好，但当过渡金属离子存在时，情况通常不是这样。本项目的目标是进行概念验证实验，从而帮助发展一个令人满意的理论。学生将参与这项研究。他们将获得当代物理化学前沿领域之一的经验，从而为进入科学/技术劳动力做好准备。

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Sharp will develop techniques to measure electron spin-related properties of transition metal ions with total spin greater than one. The electron spin physics will be probed indirectly by NMR spectroscopy. New methods of orienting paramagnetic molecules in flow-stretched hydrogels will be developed. Proof of concept experiments will be performed on paramagnetic complexes with spin S = 1, 3/2 and 5/2 and used to test the underlying theory. Biological and biochemical systems often contain ions that are characterized by electron spin. The total electron spin of these units plays an important role in the behavior of these systems. While the theory for systems with just one unbalanced electron spin is well developed, this is usually not the case when transition metal ions are present. The goals of the present project are to perform proof of concept experiments and thereby aid in the development of a satisfactory theory. Students will participate in this research. They will gain experience in one of the forefront areas of contemporary physical chemistry and thereby prepare them for entry into the scientific/technological workforce.