可控自组装体系中的新型非共价和动态共价相互作用研究

本项目集成了国内非共价和动态共价作用研究、物理化学表征新方法和理论计算化学研究的部分优势力量，集中开展阴离子-π作用和含硒动态共价键的系统研究，力争在以下几个方面取得突破：（1）创造一系列导向阴离子-π作用和含硒动态共价作用研究的新颖（大环）工具分子和基元；（2）建立和发展阴离子-π作用和含硒动态共价作用研究的物理化学新方法和高精度及高效率的理论计算方法；（3）揭示阴离子-π作用和含硒动态共价作用的本质规律，建立和发展定量描述阴离子-π作用和含硒动态共价作用的理论模型；（4）建立和发展基于阴离子-π作用和含硒动态共价作用的分子识别与可控自组装体系，实现多种新型的刺激响应性组装材料和阴离子传输材料；（5）初步揭示阴离子-π作用在分子反应和催化中的作用。通过集成项目的实施，力争使我国在阴离子-π作用和含硒动态共价键作用研究领域处于领先地位，为建立和发展具有我国特色的新型可控自组装体系提供基础。

Based on the expertise of principal investigators on non-covalent bond and dynamic covalent bond interactions, characterizations and measurements of non-covalent bonds, accurate and efficient theoretical methods for non-covalent interactions, this joint research project aims to focus on the systematic study of anion-π interactions and selenium-bearing dynamic covalent bonds. Detailed investigations include (1) the synthesis of novel (macrocyclic) molecules designed for the study of anion-π interactions and Se-containing dynamic covalent bonds, (2) development of new physical methods for the characterization and measurement of and accurate and efficient theoretical methods for anion-π non-covalent and Se-containing dynamic covalent bond interactions, (3) the nature of anion-π non-covalent and Se-containing dynamic covalent bond interactions and their theoretical models, (4) development of anion-π interaction-directed self-assembled structures and construction of functional responsive materials based on Se-containing dynamic covalent bond interactions, and (5) exploration of the effect of anion-π interactions on reactions and on catalysis. Implementation of the project would foreseeably promote advances of the field of non-covalent interactions and dynamic covalent bond interactions that are paramount for the sophistication of new and functional self-assembled systems.