RUI: Supramolecular anion-pi and halogen-bonded complexes and their role in electron-transfer processes

RUI：超分子阴离子-π和卤素键配合物及其在电子转移过程中的作用

• 批准号: 1607746
• 负责人: Sergiy Rosokha
• 金额: $ 29.56万
• 依托单位: Ball State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-08-01 至 2020-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1607746&HistoricalAwards=false
• 关键词: RUI; Supramolecular; anion; pi; halogen

In this project funded by the Macromolecular, Supramolecular and Nanochemistry Program in the Division of Chemistry, Professor Sergiy Rosokha of the Department of Chemistry at Ball State University studies intermolecular interactions between molecules that have a halogen atom (fluorine, chlorine, bromine, iodine) and molecules with a negative charge (anions). These types of chemical interactions are recognized as a powerful tool for recognizing molecules, preparing materials, and designing pharmaceuticals. Professor Rosokha is studying the role of these novel types of intermolecular interactions in facilitating certain chemical reactions. These mechanistic studies should aid the development of more efficient synthetic methods and the study of chemical reactions in the environment. Professor Rosokha is also providing research and training opportunities for undergraduate and masters students at Ball State University. Professor Rosokha is studying the mechanistic role of anion-pi and halogen-bonded complexes in electron-transfer reactions. More generally, he is addressing solution-phase chemical transformations of both halogenated electrophiles and anionic nucleophiles. Through a combination of spectral (UV-Vis, FT-IR, NMR, ESR) measurements, electrochemical, X-ray structural studies, and computational analysis, Professor Rosokha is establishing the structural, thermodynamic and spectral characteristics of highly-reactive pre-equilibrium halogen-bonded and anion-pi complexes. The properties of these complexes are then being used to explain, predict and, ultimately, control kinetics and stereochemistry of the reactions of halogen-containing molecules with anions.

在这个由化学系的高分子、超分子和纳米化学计划资助的项目中，鲍尔州立大学化学系的Sergiy Rosokha教授研究了具有卤素原子的分子（氟、氯、溴、碘）和具有负电荷的分子（阴离子）之间的分子间相互作用。 这些类型的化学相互作用被认为是识别分子、制备材料和设计药物的有力工具。 Rosokha教授正在研究这些新型分子间相互作用在促进某些化学反应中的作用。 这些机理研究应该有助于开发更有效的合成方法和研究环境中的化学反应。 Rosokha教授还为鲍尔州立大学的本科生和硕士生提供研究和培训机会。Rosokha教授正在研究阴离子π和卤素键合络合物在电子转移反应中的机械作用。更一般地说，他正在解决卤化亲电试剂和阴离子亲核试剂的溶液相化学转化。 通过光谱（UV-Vis，FT-IR，NMR，ESR）测量，电化学，X射线结构研究和计算分析的组合，Rosokha教授正在建立高度反应性的预平衡卤素键合和阴离子π络合物的结构，热力学和光谱特性。 这些配合物的性质，然后被用来解释，预测，并最终控制含卤素分子与阴离子反应的动力学和立体化学。