Metal organic framework synthesis in a modular robotic system driven by a chemical programming language Donglin He , Daniel Salley, Yibin Jiang, Zack Geary, De-Liang Long and Leroy Cronin School of Chemistry, University of Glasgow, UK The experimental exploration of chemical space of crystalline materials requires large set of reactions and the multiparameter control. Especially, the synthesis of metal organic frameworks (MOFs) involves complex processes and the labour intensive. 1 To address these challenges and accelerate the material discovery and reproducibility, we developed our Chemical Programming Language 2 to program the MOFs synthesis. This is achieved by breaking the process into discrete steps so the code can be complied to run the process in both code and robotic modules. The platform can repeat the synthesis and crystallisation of known MOFs with comparable yield and purity. In this talk I will describe the modules for MOF discovery and synthesis, as well as the new algorithms developed for optimization. Finally I will explain how the platform can be extended to a wide variety of materials such as polyoxometalate-based metal organic frameworks (POMOFs), metal organic cages (MOCs) and covalent organic frameworks (COFs). Our vision is that the Chemputation of materials gives a digital code that can be standardised, versioned, and transferred flexibly between platforms, thereby greatly enhancing reproducibility, and enabling rapid experimental discovery of functional materials. References 1. Tollitt, A. M.; Vismara, R.; Daniels, L. M.; Antypov, D.; Gaultois, M. W.; Katsoulidis, A. P.; Rosseinsky, M. J., High-Throughput Discovery of a Rhombohedral Twelve-Connected Zirconium-Based Metal-Organic Framework with Ordered Terephthalate and Fumarate Linkers. Angew. 2. Chem. Int. Ed. 2021, 60 (52), 26939-26946. Mehr, S. H. M.; Craven, M.; Leonov, A. I.; Keenan, G.; Cronin, L., A universal system for digitization and automatic execution of the chemical synthesis literature. Science 2020, 370 (6512), 101-108.
DD25
© The Author(s), 2023
Made with FlippingBook Learn more on our blog