B-Cat: Catalytic processes for the efficient energy release from MOST compounds

能量释放的控制和理解是开发成功的MOST系统的主要挑战之一。使用催化剂来调节这一过程为其调节和微调提供了独特的机会。本项目的目的是开发高效的分子催化剂，用于亚稳态MOST异构体的能量释放，对这些过程的机理理解，并将所获得的知识应用于固定化催化剂的开发，适合工作装置的实现。杜瓦-1,2-氮杂aborine催化电环开环的探索将是研究的重点。该项目还将促进催化功能化的发展，以合成大多数载体，以便模块化地修改其性质。该项目将分三个工作包进行。均相催化剂将在工作包1中进行研究。这包括催化剂开发和机理研究，这也将有助于进一步微调催化活性。一方面，将对已知催化剂的机理和结构影响进行详细的研究。此外，我们希望找到一种活性的非贵金属催化剂，也可以提高系统的可持续性。工作包2致力于多相催化，主要基于成功的均相催化剂的固定化，同时保持其性能。我们还将利用我们在发展催化方法以使大多数载体功能化方面的经验，这将是工作包3的主题。该项目将解决以下关键问题：(i)在分子水平上，杜瓦1,2-氮杂aborine环还原的成功催化剂的结构要求是什么？（ii）哪种固定策略最适合保持催化性能？（iii）反应是如何进行的，我们可以从中学到什么来开发更有效的催化剂？（四）现代催化剂研究如何有助于高效合成微生物的方法？通过与其他项目的密切互动，我们的项目将对for MOST的整体成功至关重要，这些项目的重点是改进MOST分子的设计，催化剂的开发和对能量释放过程的机理理解，以及工作装置的构建。获得的基础知识将有助于整体MOST概念的发展，从理解到设计到应用。

The control and understanding of the energy release constitute one of the main challenges of the development of successful MOST systems. The use of catalysts to regulate this process offers unique opportunities for its regulation and fine-tuning. The aim of this project is the development of efficient molecular catalysts for the energy release from metastable MOST isomers, the mechanistic understanding of these processes and implementation of the acquired knowledge into development of immobilized catalysts, suitable for the realization of working devices. The exploration of the catalytic electrocyclic ring opening of Dewar-1,2-azaborine will be the focus of the studies. The project will also contribute to the development of catalytic functionalizations in the synthesis of mostophores in order to modularly modify their properties. The project will be conducted within three working packages. Homogeneous catalysts will be investigated within the working package 1. This encompasses both catalyst development and mechanistic investigations, which will also contribute to further fine-tuning of the catalytic activity. On one hand, a detailed investigation of the mechanism and structural influence of already known catalysts will be conducted. In addition, we want to find an active nonprecious metal catalyst, also to improve the sustainability of the system. Working package 2 is dedicated to heterogeneous catalysis, mainly based on the immobilization of successful homogeneous catalysts, while maintaining their performance. We will also make use of our experience in the development of catalytic methods for the functionalization of mostophores, which will be the topic of working package 3. The project will address following key questions: (i) What are the structural requirements for the successful catalyst for the cycloreversion of Dewar-1,2-azaborine on a molecular level? (ii) Which immobilization strategy is optimal for retaining the catalytic performance? (iii) How does the reaction proceed and what can we learn from it to develop more efficient catalysts? (iv) How can modern catalyst research contribute to efficient synthetic approaches toward mostophores? Our project will be of importance for the overall success of FOR MOST through intense interactions with other projects focusing on the design of improved MOST molecules, the catalyst development and mechanistic understanding of the energy release process, and the construction of a working device. The gained fundamental knowledge will contribute to the development of a holistic MOST concept, from understanding through design to applications.