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

罗斯福大学的Sergiy Rosokha教授得到化学系大分子，超分子和纳米化学计划的支持，对有机分子和过渡金属络合物之间的卤素键合进行研究。 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，以及计算分析的含卤素的有机受体和无机复合物之间的超分子关联与不同的立体化学和电子性质。 它打算建立：1）涉及卤素原子的这种分子间键合的性质，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，和3）这种分子间相互作用对含卤素分子的反应的影响。 对卤素键合的基本理解将有助于结合有机和无机对应物的有利特征的混合导电、磁性和光学材料的制备。 它还将阐明卤代分子与生物物质的相互作用，这是合理设计新药的一个关键方面。 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学合成。该项目的两个特点使其成为本科生培训的最佳选择，并最大限度地发挥其教育影响。首先，它包括各种基本的合成和仪器技术在中等水平的复杂性新手化学家访问。 其次，它需要测试几个系列的复合体，这允许许多学生的参与和密切合作。 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。导致专业会议上的出版物和演讲的研究经验将鼓励学生，其中许多人来自科学团体的代表性不足，探索科学事业。 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.