A-Azo: Tuning storage in MOST systems using intra- and intermol- ecular interactions with Azobenzenes

分子太阳能热能存储（MOST）系统的成功与所使用的光可切换分子实体（mostophoore）密不可分。控制其性能的因素有很多，这些因素直接关系到其MOST功能。关键参数包括能量储存密度、半衰期或与太阳光谱的匹配度。在本文中，我们将以偶氮苯为例，探讨解决most分子固有参数的一般策略：(1)在一个分子中组合多个most载体；(2)后续反应稳定贮存状态；(3)非共价相互作用控制开关过程。在(1)中，不仅将连接多个偶氮苯，而且还将连接MOST研究小组研究的其他大多数基团。在这里，氮aborine是特别有趣的候选者，因为它们可以取代偶氮苯中的一个（或两个）苯基单元，潜在地导致储存能量的急剧增加，同时将氮aborine的吸收转移到可见光范围内。根据应用程序需要不同的存储时间。长期储存带来了特殊的挑战。如果将最大载体的能量加载过程与后续反应相连接，使最大载体系统处于存储状态，则能量可以保持无限长时间。理想情况下，后续反应也由光化学促进。这个概念将在(2)部分实现。附加基团改变MOST性质，主要是由于分子量增加而导致存储密度降低。因此，在第(2)部分中，我们探索了非共价相互作用，以优化MOST在能量储存和释放过程中不同阶段的性能。该项目的主要部分包括MOST元件的设计、合成和分析。流动化学发挥着不可或缺的作用，允许大规模的合成测试，也可用于高通量分析。所有部分将与研究小组内的其他项目很好地集成，例如化合物交换，合成知识（A-BN, A-Nor, B-Cat），分析（B-Spec, B-Surf），计算设计和机制阐明（D-Ground, D-Photo），以及在概念验证设备中进行测试（D-Dev）。所获得的见解将为有机光化学提供新的基本见解，从合成，分析和机理理解。作为这个研究小组的一个整体，这些知识将使我们能够将MOST技术推向一个新的水平，并为实际应用铺平道路。

The success of Molecular Solar Thermal Energy Storage (MOST) systems is indispensably connected to the light-switchable molecular entity (mostophore) utilized. There are multiple factors controlling the properties, which directly correlate to its MOST function. Critical parameters are inter alia the energy storage density, the half-life, or the match with the solar spectrum. In this proposal, general strategies to tackle the MOST-molecule inherent parameters for an optimized candidate will be explored with the example of azobenzenes: (1) Combination of multiple mostophores in one molecule; (2) Stabilization of the storage state by follow-up reaction; (3) Control of switching process by non-covalent interactions. In (1) not only multiple azobenzenes will be connected, but also other mostophores investigated within the Research Group FOR MOST. Here, the azaborines are especially interesting candidates, as they can replace one (or two) of the phenyl-units within the azobenzene, potentially leading to a drastic increase in storage energy while shifting the absorption of the azaborine favorably into the visible range. Depending on the application different storage times are desirable. Long-term storage poses a special challenge. If the energy loading process of the mostophore is connected to a follow-up reaction fixing the MOST-system in the storage state, the energy could be kept for an infinitive time. Ideally, the follow-up reaction is also promoted photochemically. This concept will be brought to life in the (2) part. The attachment of additional groups to alter the MOST properties leads mostly to a reduced storage density due to the increased molecular weight. Therefore, in part (2) non-covalent interactions are explored to optimize the MOST properties at different stages of the energy storage and release process. The main part of this project consists of the design, synthesis, and analysis of MOST components. Flow chemistry is playing an integral role, allowing large scale synthesis for testing, but also in high-throughput analysis. All parts will be well integrated with the other projects within the Research Group, e.g. exchange of compounds, knowledge in synthesis (A-BN, A-Nor, B-Cat), analysis (B-Spec, B-Surf), computational design, and elucidation of mechanisms (D-Ground, D-Photo), as well as testing in proof-of-concept devices (D-Dev). The insights gained will provide new fundamental insights into organic photochemistry, ranging from synthesis, analysis, and mechanistic understanding. This knowledge gained as an ensemble of this Research Group will allow us to push the MOST technology to a new level and pave the way to practical applications.