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.

NSF化学部的大分子，超分子和纳米化学计划支持该项目设计和合成新的基于碳的分子，以在柔性，高性能电子设备中潜在使用。对这些分子的研究可能会更好地了解如何设计理想的特性以及这些材料的运作方式。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其电子特性，而且对于优化材料的批量电子性质而言也很重要。尽管材料内的自由旋转可以导致各种不可预测的，也许是不希望的分子填料布置，但实施平面的策略可以提供增加的订单和增强的电子特性。因此，在光伏，薄膜晶体管和光发射器件的发展中，具有构象约束的芳基乙二醇是重要的目标。同样，芳基乙烯烯结构具有刚性和可预测的几何形状，可以作为特定尺寸和形状的客人的宿主。对这些系统的几何参数的完全理解和优化可能会导致新的感测功能。负责合成和表征这些新颖化合物的本科生在实验室中获得动手经验，为化学工业的职业做好准备，或者在研究生课程中进行其他研究。 该项目是在威斯康星大学斯特文斯角和密苏里州立大学的两个不同校园内进行的。 这些校园的教授参与有意义的研究，不仅增强了对研究项目直接工作的学生的教育，而且还可以从教室中的知识和技能转移中受益的学生。该项目的科学目标是设计和准备新的芳基乙烯烯结构，并具有允许对电子特性，晶体设计和托管设计和主机的分子控制的特征，并具有分子水平的控制。 具体而言，在共轭系统中掺入吡啶基团通过卤素键合，氢键和过渡金属协调为结构控制提供了机会。 这些相互作用提供了新型液体晶体，增强的不饱和骨架的有效结合以及高度特异的宿主 - 阵阵配对的途径。