离散型pi-pi堆积低聚物的激发态调控与发光性质研究

激发态是新型发光材料的创新源头，它的理性设计与精准调控尤为重要。本项目围绕激发态核心问题，设计构筑不同尺寸、组成的离散型分子间π-π堆积低聚物，重点考察不同分子间π-π堆积低聚物结构影响激发态本质与特征的普遍规律，建立分子间π-π堆积低聚物结构、激发态特征与发光性质之间的关系，为设计高性能分子间低聚物及超分子发光材料提供理论指导。系统研究通过分子间π-π堆积低聚物结构因素（尺寸、组成、分子间作用强度和取代基效应等）调控激发态本质特征的变化趋势和作用效果，具体涉及激发态形成、几何结构、组成特征和作用本质等，建立可靠的分子间激发态设计与调控方法。项目期望发展分子间激发态理论与超分子激发态新概念，通过激发态设计与调控发现光物理过程新现象、新原理与新机制；同时，设计构筑高效率新颖的分子间低聚物及超分子发光材料，拓展功能与应用，争取具有自主知识产权的新一代发光材料和特色应用。

Excited state is an innovative source of novel luminescent materials, and its rational design and accurate regulation are particularly important. This project takes the excited state as a core, to design and construct discrete intermolecular π-π stacking oligomer with different sizes and compositions. We focus on the essential effects of different intermolecular π-π stacking oligomer structure on the excited state nature & characteristics. The structure-property relationship is expected to be established among π-π stacking oligomer structure, excited state characteristics and luminescence properties, which may provide a theoretical guidance to design high-performance intermolecular oligomer and supramolecular luminescent materials. Systematically, the trends and effects of the essential modulations of excited states will be estimated by intermolecular π-π stacking oligomer structure factors (size, composition, intermolecular interaction strength and substituent effect, etc.), such as formation, geometry, transition component and interaction nature of excited state, etc. so as to facilitate a reliable design and manipulation in intermolecular excited states. This project aims at a theoretical development of intermolecular excited states and a newly established concept of supramolecular excited states. New phenomena, new principles and new mechanisms are hopefully discovered in the photophysical processes through excited state design and modulation. In the meantime, some highly-efficient novel intermolecular π-π oligomers and supramolecular luminescent materials are designed and prepared to expand new functions and new applications, and finally to achieve a new-generation luminescent materials and featured applications with independent intellectual property rights.