Chemical Triggers for Spin-State Switching: Fundamental Studies Toward Anion Receptors

在这个由化学系化学结构、动力学和机理计划资助的项目中，科罗拉多州立大学的马修·肖尔斯将结合合成和测量技术，通过非共价相互作用控制分子物种中的电子自旋。Fe(II)配位化合物将通过溶液方法进行探索，以在微观水平上了解它们的自旋态是如何受到外球与阴离子相互作用的影响的。这些洞察力将为探索金属-配体结构提供信息，在极性溶剂中，复杂自旋态的变化强烈地表明存在阴离子物种。在这项研究的更广泛的影响中，将提供在合成、光谱学、X射线结晶学和磁学方面的多样化培训；将开发一种新的具有生物和/或环境意义的阴离子的比色传感器；并将通过与CSU化学REU项目的密切联系和支持，增加本科生的研究机会。该项目旨在扩大无色阴离子的检测方法，利用某些金属络合物由于微小环境变化而改变其颜色和磁性和物理性质的倾向。在可控的厌氧条件下对阴离子进行传感已经得到了发展。这项研究的目的是在水中实现稳健的传感，这是该领域的一个关键目标。研究和教育活动的直接结果将体现在研究生和本科生在化合物合成和表征方面获得的培训质量。更广泛地说，这项研究将有助于发展对分子开关的基本理解，并将有助于改进成像、数据存储和显示设备。

In this project funded by the Chemical Structure, Dynamics and Mechanism Program of the Chemistry Division, Matthew Shores of Colorado State University will combine synthetic and measurement techniques to control electron spin in molecular species via non-covalent interactions. Fe(II) coordination complexes will be probed by solution methods to understand - at the microscopic level - how their spin states are influenced by outer sphere interactions with anions. These insights will inform the exploration of metal-ligand architectures where, in polar solvents, a change in complex spin state robustly signals the presence of an anionic species. Among the broader impacts of the research, diverse training in synthesis, spectroscopy, X-ray crystallography, and magnetometry will be offered; a new class of colorimetric sensors for anions of biological and/or environmental significance will be developed; and research opportunities for undergraduate students will be enhanced by close association with and support of the CSU chemistry REU program.This project intends to expand the methods by which colorless anions can be detected, by taking advantage of the propensity of certain metal complexes to switch their color and magnetic and physical properties as a result of small environmental changes. Sensing of anions under controlled, anaerobic conditions has been developed. This research aims to achieve robust sensing in water, a key goal in this field. A direct result of the research and educational activities will be manifested in the quality of training that graduate and undergraduate students obtain in the synthesis and characterization of compounds. More generally, the research will aid in developing fundamental understandings of molecular switching, and will contribute to improved imaging, data storage, and display devices.