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Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine

Author

Listed:
  • Hong-Ying Zang

    (WestCHEM, School of Chemistry, University of Glasgow)

  • Andreu Ruiz de la Oliva

    (WestCHEM, School of Chemistry, University of Glasgow)

  • Haralampos N. Miras

    (WestCHEM, School of Chemistry, University of Glasgow)

  • De-Liang Long

    (WestCHEM, School of Chemistry, University of Glasgow)

  • Roy T. McBurney

    (WestCHEM, School of Chemistry, University of Glasgow)

  • Leroy Cronin

    (WestCHEM, School of Chemistry, University of Glasgow)

Abstract

The discovery of gigantic molecular nanostructures like coordination and polyoxometalate clusters is extremely time-consuming since a vast combinatorial space needs to be searched, and even a systematic and exhaustive exploration of the available synthetic parameters relies on a great deal of serendipity. Here we present a synthetic methodology that combines a flow reaction array and algorithmic control to give a chemical ‘real-space’ search engine leading to the discovery and isolation of a range of new molecular nanoclusters based on [Mo2O2S2]2+-based building blocks with either fourfold (C4) or fivefold (C5) symmetry templates and linkers. This engine leads us to isolate six new nanoscale cluster compounds: 1, {Mo10(C5)}; 2, {Mo14(C4)4(C5)2}; 3, {Mo60(C4)10}; 4, {Mo48(C4)6}; 5, {Mo34(C4)4}; 6, {Mo18(C4)9}; in only 200 automated experiments from a parameter space spanning ~5 million possible combinations.

Suggested Citation

  • Hong-Ying Zang & Andreu Ruiz de la Oliva & Haralampos N. Miras & De-Liang Long & Roy T. McBurney & Leroy Cronin, 2014. "Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine," Nature Communications, Nature, vol. 5(1), pages 1-8, September.
    • Handle: RePEc:nat:natcom:v:5:y:2014:i:1:d:10.1038_ncomms4715
    DOI: 10.1038/ncomms4715
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