High-throughput approaches for the discovery of organic materials Becky Greenaway Imperial College London, UK Dynamic covalent chemistry is a powerful tool for assembling complex organic molecules, such as organic cages, which can be synthesised using a range of enabling technologies, including flow chemistry, 1 mechanochemistry, 2 and high-throughput automation, 3 enabling both their scale-up and the ability to screen a broad synthetic space. They can also be processed into different phases of organic materials, including crystalline porous solids with interconnected pore networks, amorphous glasses, and porous liquids, or used as building blocks in more complex supramolecular assemblies such as metal-organic cages or frameworks, or mechanically-interlocked catenanes and rotaxanes. We have previously reported high-throughput experimental workflows to accelerate the discovery of both organic cages 3 and structurally-related porous liquids. 4 However, even with the aid of high-throughput automation, bottlenecks remained in data acquisition and characterisation on an equally high-throughput timescale. In addition, the majority of commercially available automated platforms are prohibitively expensive, making adoption in other labs difficult. Here, I will broadly introduce our streamlined high-throughput experimental workflow for the synthesis and characterisation of organic materials that makes use of a low-cost, open-source automated platform combined with computer vision and automated data analysis, and supported by computational modelling. This workflow has been applied to further streamline the automated discovery of organic cages formed via imine condensations in the first instance. Finally, extension of this workflow for automated porous liquid screening, directed using previous high-throughput data, will be introduced. References 1. Dynamic flow synthesis of porous organic cages, M. E. Briggs et al., Chem. Commun., 2015, 51, 17390 2. Continuous and scalable synthesis of a porous organic cage by twin screw extrusion (TSE), B. D. Egleston et al., Chem. Sci., 2020, 11, 6582 3. High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis, R. L . Greenaway et al., Nature Commun., 2018, 9, 2849 4. Accelerated robotic discovery of type II porous liquids, R. J. Kearsey et al., Chem. Sci., 2019, 10, 9454
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