ORGANICS: Exploring Charge Transport in Conjugated Organic Materials: A 2D Oligomer Approach

本研究的目的是表征分子间（即，链-链）相互作用对有机材料中离域电荷载流子性质的影响。低聚物的堆叠几何形状在溶液和气相中持续存在，并且是合成化学、电化学和光谱学的组合（紫外-可见-近红外、荧光、电子自旋共振、UPS）将使我们能够探索分子和聚合物链的电子结构向三维材料的电子结构的演变。拟议活动的知识价值包括：（i）增强了对链间相互作用对共轭有机材料的电子性质的影响的理解，（ii）借助于对链间几何形状的控制而在场效应晶体管中具有增强的迁移率的新的共轭低聚物，和（iii）新的光谱数据，这将有助于发展新的基于量子的计算方法。拟议的研究产生的更广泛的影响包括在高度跨学科的研究环境中对研究生进行各种技术培训的机会，以及通过与Nadine Gruhn博士（亚利桑那大学）以及Bredas和Kippelen教授（格鲁吉亚技术）的拟议合作。格鲁吉亚理工学院和PI在培训代表性不足的少数民族毕业生方面有着良好的记录。研究人员将从格鲁吉亚理工学院化学与生物化学学院的不同学生群体中招募到这个项目中。

The objective of this research is to characterize the effect of intermolecular (i.e., chain-chain) interactions on the nature of delocalized charge carriers in organic materials by development of cofacially-held conjugated oligomers. The stacked geometry of the oligomers persists in solution and in the gas phase, and a combination of synthetic chemistry, electrochemistry, and spectroscopies (UV-vis-NIR, fluorescence, ESR, UPS) will allow us to explore the evolution of the electronic structure of molecules and polymer chains into that of 3-D materials.Intellectual merits of the proposed activity include: (i) an enhanced understanding of the influence of interchain interactions on the electronic properties of conjugated organic materials, (ii) new conjugated oligomers with enhanced mobility in field effect transistors by virtue of control over interchain geometry, and (iii) new spectroscopic data which will aid in the development of new quantum-based computational methods. The broader impacts resulting from the proposed study include opportunities for training of graduate students in a variety of techniques in a highly interdisciplinary research environment, as well as through proposed collaborations with Dr. Nadine Gruhn (University of Arizona), and Professors Bredas and Kippelen (Georgia Tech). Georgia Tech and the PI have a strong record of training graduates from underrepresented minority groups. Researchers will be recruited to this project from the diverse student population present in the School of Chemistry and Biochemistry at Georgia Tech.