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

罗斯福大学的sergey Rosokha教授在化学系大分子、超分子和纳米化学项目的支持下，对有机分子和过渡金属配合物之间的卤素键进行了研究。这项工作包括光谱（UV-Vis, FT-IR， NMR），电化学和x射线晶体学测量，以及含卤素有机受体和具有不同立体化学和电子性质的无机配合物之间超分子结合的计算分析。本文旨在确定：1)这种含卤素原子的分子间键的性质；2)决定卤素键配合物形成和结构、光谱和热力学特征的主要因素；3)这种分子间相互作用对含卤素分子反应的影响。对卤素键合的基本理解将有助于制备结合有机和无机对应物的优势特性的导电、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，这是合理设计新药的关键方面。阐明卤素键在反应性中的作用将有助于开发更有效的化学和石油化工合成。本项目的两个特点使其最适合本科生的培养，并使其教育影响最大化。首先，它包括各种基本的合成和仪器技术，在中等复杂程度的新手化学家可以访问。其次，它需要测试几个系列的综合体，这允许许多学生参与和密切合作。参与该项目将提高这些学生解决问题的能力和实验专业知识，并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演讲的研究经历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不足的群体。它还将为他们随后在工业和学术环境中的贡献和成功奠定坚实的基础。

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.