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

在这个由化学部门化学结构、动力学和机制项目资助的项目中，科罗拉多州立大学的Matthew Shores将结合合成和测量技术，通过非共价相互作用来控制分子物种中的电子自旋。Fe（II）配位配合物将通过溶液方法进行探测，以在微观水平上了解它们的自旋态如何受到与阴离子的外球相互作用的影响。这些见解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有力地表明阴离子物种的存在。在更广泛的研究影响中，将提供合成，光谱学，x射线晶体学和磁强计方面的各种培训；将开发一类新的具有生物和/或环境意义的阴离子比色传感器；通过与科罗拉多州立大学化学REU项目的密切联系和支持，本科生的研究机会将得到加强。该项目旨在扩大检测无色阴离子的方法，利用某些金属配合物的倾向，随着环境的微小变化而改变其颜色、磁性和物理性质。在可控的厌氧条件下，阴离子的传感已经发展起来。本研究旨在实现该领域的关键目标——水中鲁棒传感。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上。更一般地说，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.