Collaborative Research: FRG: Nonpolar Electro-Optic Materials

合作研究：FRG：非极性电光材料

• 批准号: 0308701
• 负责人: Robert Twieg
• 金额: $ 28.41万
• 依托单位: Kent State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-07-01 至 2007-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0308701&HistoricalAwards=false
• 关键词: Collaborative; Research; FRG; Nonpolar; Electro

The goal of this project is to address synthesis, characterizaton, and theory of a class of nonpolar electro-optic materials important to applications in image-plane electro-optic devices. The emphasis on synthesis includes several important systems. Noncyclic Terminated Lambda-shaped Molecules and Chromophores as new chromophores in the Crystal Violet family are being prepared so as to elucidate the origins of the large beta 2mm component already observed in these molecules. These chromophores are required for subsequent polymer synthesis. Macroheterocyclic Ring Chromophore are composed of large fully conjugated rings comprised of six or more individual heterocyclic rings. The size and symmetry of the macroheterocycle will dictate its nonlinear properties. Discotic Chromophores with Macroheterocycle or Longitudinally Twisted Chromophore Cores as discotic liquid crystals which having functional groups arrayed to provide the desired symmetry will be synthesized. A variety of discotic cores are will be examined including the truxones or the macroheterocycles described above. The longitudinally twisted discotic systems will be emphasized as a starting point. Helical Polymers will be created that incorporate as subunits the chromophores created as described above, especially the noncyclic terminated lambda-shaped molecules, by covalently linking them in the appropriate positions to create a polymer. The foldamers are one class of polymers that have the desired symmetry. The production of helical polymers requires first that the lambda-shaped components are available and so initial emphasis will be on the monomers and once they are in hand then the polymers will be prepared and evaluated. Where possible new and enhanced synthesis methods will be explored using using organometallic approaches. In the area of theory and design, chromophore design will be carried out using heuristic chemistry and quantum chemical calculations. Many of these calculations will be done using AMPAC and the GAMESS general atomic and molecular electronic structure system, and also using a program that can do semi-empirical calculations such as ZINDO which are better optimized for optical properties. These programs will be used to model the electro-optic response of the materials. Also, to address larger molecules and issues of molecular orientation heuristic chemical arguments will be adapted and used. Analytical, crude Monte Carlo and quantum chemical techniques will be used to study how chromophores align according to their molecular structure, and to analyze methods for achieving optimal alignment. Nonlinear optical characterization studies will be aimed at evaluating the nonlinear optical response and to verify models and mechanisms. Molecular level, bulk level and device-related studies will be carried out and will be used to guide further synthetic and theoretical work. Hyper-Rayleigh measurements will be employed to study molecular response for characterization as well as comparison to theory. Second harmonic generation and linear electro-optic measurements will be carried out on films.%%%Research into these potential device materials, methods and concepts will contribute to new electro-optic technologies for optical data and image processing, and also to the knowledge required to promote electro-optics in general. This project integrates education and research in preparing graduate students and post-doctoral researchers for careers in optoelectonics or related critical workforce areas. Overall, the project will enhance development of scientists trained in interdisciplinary efforts in organic chemistry, physics, and optics. This project is co-funded by the Chemistry Division and the Division of Materials Research.

本计画的目标是探讨一类在像面电光元件应用上有重要意义的非极性电光材料的合成、表征与理论。强调综合包括几个重要的系统。非环状终止的λ形分子和生色团作为新的生色团在结晶紫家庭正在准备，以阐明已经观察到在这些分子中的大β 2mm组件的起源。 这些发色团是后续聚合物合成所需的。大杂环发色团由六个或更多个独立杂环组成的大的完全共轭环组成。 大杂环的大小和对称性将决定其非线性性质。 将合成具有大杂环或纵向扭曲发色团核的分散型发色团作为分散型液晶，其具有排列以提供所需对称性的官能团。 将检查各种discriminant核心，包括上述truxone或大杂环。 作为起点，我们将着重讨论纵向扭曲的分散系统。将产生螺旋聚合物，其通过将如上所述产生的发色团，特别是非环状封端的类胡萝卜形分子共价连接在适当的位置以产生聚合物而并入作为亚基。折叠体是一类具有所需对称性的聚合物。 螺旋聚合物的生产首先需要有螺旋形的组分，因此最初的重点将放在单体上，一旦它们在手，然后将制备和评估聚合物。在可能的情况下，将利用有机金属方法探索新的和改进的合成方法。 在理论和设计方面，将使用启发式化学和量子化学计算进行发色团设计。这些计算中的许多将使用AMPAC和GAMESS通用原子和分子电子结构系统进行，并且还使用可以进行半经验计算的程序，例如ZINDO，其对于光学性质进行了更好的优化。 这些程序将用于模拟材料的电光响应。 此外，为了解决更大的分子和分子取向的问题，启发式化学参数将被改编和使用。分析，粗蒙特卡罗和量子化学技术将用于研究发色团如何根据其分子结构排列，并分析实现最佳排列的方法。 非线性光学特性研究的目的是评估非线性光学响应，并验证模型和机制。 将进行分子水平、体水平和器件相关的研究，并将用于指导进一步的合成和理论工作。 超瑞利测量将被用来研究表征分子响应以及与理论的比较。 二次谐波产生和线性电光测量将在薄膜上进行。%研究这些潜在的设备材料，方法和概念将有助于新的电光技术的光学数据和图像处理，也需要的知识，以促进一般的电光。 该项目整合了教育和研究，为研究生和博士后研究人员在光电子或相关关键劳动力领域的职业生涯做好准备。总的来说，该项目将加强在有机化学，物理学和光学跨学科努力培训的科学家的发展。该项目由化学部和材料研究部共同资助。