Organic Materials of Intermediate Dimensions for Optoelectronic Technologies

该研究项目的目标是了解如何使共轭有机发色团接近影响系综的光学和电子性质，以及如何使用分子拓扑来控制固态分子的组织。为了实现这些目标，PI将合成模型化合物并研究它们的光学、电子和形态性质。资助期间的具体目标是：(1)合成结构明确的双色和多色分子，这些分子由副环环烷框架结合在一起。目标分子将具有精确决定相互作用单元的距离、方向和数量的刚性结构。(2)将光谱学研究与量子力学分析相结合，建立多色团副环玻璃结构光激发的内聚观。(3)合成同源系列聚集的发色团，目的是确定单个单位之间的电子通信不再重要的极限。这些是真正的有机纳米材料，因为它们的电子描述介于单个发色团和大块材料（即晶体，聚合物薄膜）之间。(4)几何形状阻碍结晶的有机分子的合成。我们感兴趣的是研究拓扑如何转化为体形态。这种类型的材料可以被纯化到比聚合物对应物更大的程度，因此在小浓度的污染物不成比例地影响固体中电荷迁移的情况下可能提供优势。通过这些研究获得的基础知识将使有机材料的工程应用于新兴的光电技术。这一技术领域可能会在社会上得到广泛应用。具体的例子包括用于显示应用的有机发光二极管、薄膜晶体管、固态激光器、用于发电的更高效的有机太阳能电池和光电探测器。色团间离域问题的重要性超出了材料设计的范围，因为它对其他科学领域产生了深远的影响，例如光合作用和双链DNA中氧化电荷迁移的机制。

This research program has the goals of understanding how bringing conjugated organic chromophores into close proximity influences the optical and electronic properties of the ensemble and how molecular topology can be used to control the organization of molecules in the solid state. To achieve these goals the PI will synthesize model compounds and study their optical, electronic and morphological properties. Specific objectives during the grant period are: (1) The synthesis of structurally defined bichromophoric and multichromophoric molecules that are held together by the paracyclophane framework. The target molecules will have a rigid structure that precisely determines the distance, orientation and number of interacting units. (2) To combine spectroscopic studies with quantum mechanical analysis to build a cohesive view of photoexcitation in multichromophore paracyclophane structures. (3) The synthesis of a homologous series of aggregated chromophores with the intent of identifying the limit at which the electronic communication between individual units ceases to be important. These are truly organic nanomaterials in that their electronic description intermediate between those of individual chromophores and of bulk materials (i.e. crystals, polymer films). (4) The synthesis of organic molecules with geometries that discourage crystallization. Of interest is to examine how topology translates into bulk morphology. Materials of this type can be purified to a greater extent than polymer counterparts and therefore may offer advantages in situations where a small concentration of contaminants disproportionately affects charge migration in the solid.%%%The fundamental knowledge obtained through these studies will enable the engineering of organic materials for use in emerging optoelectronic technologies. This area of technology is likely to find widespread use in society. Specific examples include organic-based light emitting diodes for display applications, thin film transistors, solid state lasers, more efficient organic solar cells for energy generation and photodetectors. The issue of interchromophore delocalization is significant beyond the confines of materials design because it makes a profound impact in other areas of science, such the mechanism of photosynthesis and oxidative charge migration in double-stranded DNA.