Collaborative Research: RUI: Manipulation of Arylene Ethynylene Structures and Properties via Coordination, Halogen Bonding and Hydrogen Bonding

合作研究：RUI：通过配位、卤素键和氢键操纵亚芳基乙炔基结构和性能

• 批准号: 1606558
• 负责人: Nathan Bowling
• 金额: $ 26.19万
• 依托单位: University of Wisconsin-Stevens Point
• 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 2019-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1606558&HistoricalAwards=false
• 关键词: Collaborative; Research; RUI; Manipulation; Arylene

The Macromolecular, Supramolecular and Nanochemistry Program of the NSF Division of Chemistry supports this project to design and synthesize new carbon-based molecules for potential use in flexible, high performance electronic devices. The study of these molecules may lead to a better understanding of how to design desirable properties as well as how these materials function. For example, the ability to control molecular conformations in conjugated monomers, oligomers, and polymers is not only important for manipulating their electronic properties, but also for optimization of the bulk electronic properties of a material. While free rotation within a material can lead to a variety of unpredictable, and perhaps undesirable, molecular packing arrangements, strategies for enforcing planarity can provide increased order and enhanced electronic properties. Arylene ethynylenes that are conformationally constrained are, therefore, important targets in the development of photovoltaic, thin-film transistor and light emitting devices. Similarly, with their rigidity and predictable geometries, arylene ethynylene structures can serve as hosts for guests of specific sizes and shapes. Complete understanding and optimization of the geometric parameters of these systems may lead to new sensing capabilities. Undergraduates responsible for synthesizing and characterizing these novel compounds gain hands-on experience in the laboratory, preparing them for careers in chemical industry or additional study in graduate programs. This project is conducted on two different campuses, University of Wisconsin-Stevens Point and Missouri State University. The participation of professors from these campuses in meaningful research enhances the education of not only the students working directly on the research projects, but also students who benefit from the transfer of knowledge and skills in the classroom.The scientific objective of this project is to design and prepare novel arylene ethynylene structures with features that allow molecular level control over electronic properties, crystal design, and host-guest activity. Specifically, incorporation of pyridinyl groups within conjugated systems offers an opportunity for structural control via halogen bonding, hydrogen bonding, and transition metal coordination. These interactions provide avenues for the generation of novel liquid crystals, the enhanced effective conjugation of unsaturated backbones, and highly specific host-guest pairing.

美国国家科学基金会化学部的高分子、超分子和纳米化学项目支持该项目设计和合成新的碳基分子，以用于柔性、高性能电子设备。对这些分子的研究可能有助于更好地理解如何设计所需的特性以及这些材料的功能。例如，控制共轭单体、低聚物和聚合物中分子构象的能力不仅对于操纵它们的电子特性很重要，而且对于优化材料的整体电子特性也很重要。虽然材料内的自由旋转可能导致各种不可预测的、可能是不期望的分子堆积排列，但强制平面性的策略可以提供增加的有序性和增强的电子特性。因此，构象受限的亚芳基乙炔基是光伏、薄膜晶体管和发光器件开发的重要目标。同样，凭借其刚性和可预测的几何形状，亚芳基乙炔基结构可以作为特定尺寸和形状的客体的主体。完全理解和优化这些系统的几何参数可能会带来新的传感能力。负责合成和表征这些新型化合物的本科生在实验室中获得实践经验，为他们在化学工业中的职业生涯或研究生课程的进一步学习做好准备。 该项目在威斯康星大学史蒂文斯角分校和密苏里州立大学两个不同的校区进行。 这些校园的教授参与有意义的研究，不仅增强了直接参与研究项目的学生的教育，也增强了从课堂知识和技能转移中受益的学生的教育。该项目的科学目标是设计并制备新型亚芳基亚乙炔基结构，其特征在于可以在分子水平上控制电子特性、晶体设计和主客体活性。 具体来说，在共轭体系中引入吡啶基团提供了通过卤素键合、氢键合和过渡金属配位进行结构控制的机会。 这些相互作用为产生新型液晶、增强不饱和主链的有效共轭以及高度特异性的主客体配对提供了途径。