A modular programmable inorganic cluster discovery robot for the discovery and synthesis of polyoxometalates

Salley, D. S., Keenan, G. A., Long, D.-L. , Bell, N. L. and Cronin, L. (2020) A modular programmable inorganic cluster discovery robot for the discovery and synthesis of polyoxometalates. ACS Central Science, 6(9), pp. 1587-1593. (doi: 10.1021/acscentsci.0c00415) (PMID:32999934) (PMCID:32999934)

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Abstract

The exploration of complex multicomponent chemical reactions leading to new clusters, where discovery requires both molecular self-assembly and crystallization, is a major challenge. This is because the systematic approach required for an experimental search is limited when the number of parameters in a chemical space becomes too large, restricting both exploration and reproducibility. Herein, we present a synthetic strategy to systematically search a very large set of potential reactions, using an inexpensive, high-throughput platform that is modular in terms of both hardware and software and is capable of running multiple reactions with in-line analysis, for the automation of inorganic and materials chemistry. The platform has been used to explore several inorganic chemical spaces to discover new and reproduce known tungsten-based, mixed transition-metal polyoxometalate clusters, giving a digital code that allows the easy repeat synthesis of the clusters. Among the many species identified in this work, the most significant is the discovery of a novel, purely inorganic W24FeIII–superoxide cluster formed under ambient conditions. The modular wheel platform was employed to undertake two chemical space explorations, producing compounds 1–4: (C2H8N)10Na2[H6Fe(O2)W24O82] (1, {W24Fe}), (C2H8N)72Na16[H16Co8W200O660(H2O)40] (2, {W200Co8}), (C2H8N)72Na16[H16Ni8W200O660(H2O)40] (3, {W200Ni8}), and (C2H8N)14[H26W34V4O130] (4, {W34V4}), along with many other known species, such as simple Keggin clusters and 1D {W11M2+} chains.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Keenan, Mr Graham and Long, Dr Deliang and Salley, Mr Daniel and Bell, Dr Nicola and Cronin, Professor Lee
Authors: Salley, D. S., Keenan, G. A., Long, D.-L., Bell, N. L., and Cronin, L.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:ACS Central Science
Publisher:American Chemical Society
ISSN:2374-7951
ISSN (Online):2374-7951
Published Online:06 August 2020
Copyright Holders:Copyright © 2020 American Chemical Society
First Published:First published in ACS Central Science 6(9): 1587-1593
Publisher Policy:Reproduced under a Creative Commons License

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
190217Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular LimitLeroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/H024107/1Chemistry
166779Innovative Manufacturing Research Centre for Continuous Manufacturing and Crystallisation (CMAC)Leroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/I033459/1Chemistry
165511International Collaboration in Chemistry - Modular microtubular architectures for photo-driven water splittingLeroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/J00135X/1Chemistry
166449Programmable Molecular Metal Oxides (PMMOs) - From Fundamentals to ApplicationLeroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/J015156/1Chemistry
190623The Multi-Corder: Poly-Sensor TechnologyDavid CummingEngineering and Physical Sciences Research Council (EPSRC)EP/K021966/1ENG - Electronics & Nanoscale Engineering
167864Energy and the Physical Sciences: Hydrogen Production using a Proton Electron BufferLeroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/K023004/1Chemistry
190641Synthetic Biology applications to Water Supply and RemediationSteven BeaumontEngineering and Physical Sciences Research Council (EPSRC)EP/K038885/1Research and Innovation Services
168917A Digital DNA Nano Writer (DNA NanoFab)Leroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/L015668/1Chemistry
190796Programmable 'Digital' Synthesis for Discovery and Scale-up of Molecules, Clusters and NanomaterialsLeroy CroninEngineering and Physical Sciences Research Council (EPSRC)EP/L023652/1Chemistry
172151SMARTPOM: Artificial-Intelligence Driven Discovery and Synthesis of Polyoxometalate ClustersLeroy CroninEuropean Research Council (ERC)670467Chemistry