RUI: Halogen bonding between organic acceptors and transition-metal complexes

RUI：有机受体和过渡金属配合物之间的卤素键合

• 批准号: 1112126
• 负责人: Sergiy Rosokha
• 金额: $ 28万
• 依托单位: Roosevelt University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-08-15 至 2015-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1112126&HistoricalAwards=false
• 关键词: RUI; Halogen; bonding; between; organic

Professor Sergiy Rosokha of Roosevelt University is supported by the Macromolecular, Supramolecular and Nanochemistry Program in the Division of Chemistry to conduct research of the halogen bonding between organic molecules and transition-metal complexes. This work includes spectral (UV-Vis, FT-IR, NMR), electrochemical and X-ray crystallographic measurements, as well as computational analysis of the supramolecular association between halogen-containing organic acceptors and inorganic complexes with diverse stereochemistry and electronic properties. It intends to establish: 1) the nature of this intermolecular bonding involving halogen atoms, 2) the main factors which determine formation and structural, spectral and thermodynamic characteristics of halogen-bonded complexes, and 3) the effects of this intermolecular interaction on the reactions of halogen-containing molecules. Fundamental understanding of halogen bonding will facilitate preparation of hybrid conducting, magnetic and optical materials combining advantageous features of organic and inorganic counterparts. It will also clarify the interaction of halogenated molecules with biological substances which is a critical aspect for the rational design of new pharmaceuticals. Elucidation of the role of halogen bonding in reactivity will contribute to the development of more effective chemical and petrochemical syntheses. Two features of this project make it optimal for the training of undergraduate students and maximize its educational impact. First, it includes a variety of essential synthetic and instrumental techniques at moderate levels of complexity accessible to novice chemists. Second, it requires testing of several series of complexes, which permits involvement and close collaboration of many students. The participation in the project will advance problem-solving ability and experimental expertise of these students, as well as will improve their teamwork and communication skills. The research experience leading to publications and presentations at professional meetings will encourage students, many of whom are from the underrepresented in science groups, to explore career in science. It will also create a strong foundation for their subsequent contributions and success in industrial and academic settings.

罗斯福大学的Sergiy Rosokha教授在化学系大分子、超分子和纳米化学计划的支持下，开展有机分子与过渡金属络合物之间的卤素成键研究。这项工作包括光谱(UV-Vis，FT-IR，核磁共振)，电化学和X射线结晶学测量，以及含卤素有机受体与具有不同立体化学和电子性质的无机配合物之间的超分子缔合的计算分析。它旨在确定：1)这种涉及卤素原子的分子间键合的性质，2)决定卤素键合络合物的形成和结构、光谱和热力学特性的主要因素，以及3)这种分子间相互作用对含卤素分子反应的影响。对卤素键合的基本了解将有助于制备结合有机和无机材料优点的导电、磁性和光学杂化材料。它还将阐明卤化分子与生物物质的相互作用，这是合理设计新药物的关键方面。阐明卤素键在反应中的作用将有助于开发更有效的化学和石化合成。该项目的两个特点使其成为培养本科生的最佳选择，并最大限度地发挥其教育效果。首先，它包括各种基本的合成和仪器技术，复杂程度适中，新手化学家可以接触到。其次，它需要测试几个系列的复合体，这允许许多学生参与和密切合作。该项目的参与将提高这些学生的解决问题的能力和实验专业知识，并将提高他们的团队合作和沟通能力。在专业会议上发表论文和发表演讲的研究经验将鼓励学生探索科学事业，其中许多学生来自科学团体中代表性较低的群体。这也将为他们随后在工业和学术领域的贡献和成功奠定坚实的基础。