Boron-Nitrogen containing heterocycles for MOST applications

将太阳能以化学能的形式储存在亚稳态异构体中，并将其控制释放是MOST技术的核心内容。在这个项目中，1,2-二氢-1,2-氮杂aborines，苯的硼氮类似物（BNB），以及它们的亚稳态杜瓦异构体（BND）被研究作为太阳能的收集和储存形式。这些化合物结合了高能量含量和长寿命，但与太阳光谱的重叠需要额外的优化。该项目的主要目标是了解BNB/BND对根据取代基、官能团和溶剂等参数的基本性质。基于这些知识，我们的目标是开发具有高存储能量密度、可调存储时间和阳光吸收的BNB/BND系统。在该项目中，我们将开发利用流动化学技术大规模高效获取中心合成中间体的合成策略（工作包1）。这些中心中间体将被转移到其他工作包中的目标分子中，也通过在for MOST内合作开发功能化的催化方法。对控制光化学诱导的能量储存和随后的能量释放的结构-性质关系的基本理解将在工作包2中发展。所获得的知识将指导我们开发具有高能量存储密度，可调节存储状态寿命（工作包3）并与太阳光谱优化匹配的新型材料。在FOR MOST中，该项目与合作伙伴项目的紧密结合将大大有助于更好地理解新型分子储能系统，并为未来技术平台开发材料。

The storage of solar energy in form of chemical energy in metastable isomers and its controlled release are the central aspects of the MOST technology. Within this project 1,2-dihydro-1,2-azaborines, the boron-nitrogen analogues of benzene (BNB), and their metastable Dewar isomers (BND) are investigated as harvesting and storage forms of solar energy. These compounds combine high energy content and long lifetime, but the overlap with the solar spectrum requires additional optimization. The major goal of the project is gaining understanding of the fundamental properties of the BNB/BND pair depending on parameters such as substituents, functional groups, and solvent. Based on this knowledge, we aim for developing BNB/BND systems with high storage energy densities, adjustable storage times, and absorption of sunlight. Within the project we will develop synthetic strategies for the efficient access of central synthetic intermediates in larger scale using flow chemistry techniques (work package 1). These central intermediates will be transferred into the target molecules in the other work packages, also by development of catalytic methods for functionalization in cooperation within FOR MOST. The fundamental understanding of the structure-property relationship governing the photochemically induced energy storage and the subsequent energy release will be developed in work package 2. The knowledge gained will guide us towards novel materials with high energy storage density, adjustable lifetime of the storage state (work package 3), and optimized match with the solar spectrum. Within FOR MOST the close intertwining of the project with partner projects will substantially contribute towards the better understanding of a novel molecular energy storage system and allow development of materials for future technology platforms.