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

Hong Ying Zang; Andreu Ruiz De La Oliva; Haralampos N. Miras; De Liang Long; Roy T. McBurney; Leroy Cronin

doi:10.1038/ncomms4715

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

Hong Ying Zang, Andreu Ruiz De La Oliva, Haralampos N. Miras, De Liang Long, Roy T. McBurney, Leroy Cronin^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

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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, {Mo ₁₄(C₄)₄(C₅)₂}; 3, {Mo₆₀(C₄)₁₀}; 4, {Mo₄₈(C ₄)₆}; 5, {Mo₃₄(C₄)₄}; 6, {Mo₁₈(C₄)₉}; in only 200 automated experiments from a parameter space spanning ~5 million possible combinations.

Original language	English
Article number	3715
Pages (from-to)	1-8
Number of pages	8
Journal	Nature Communications
Volume	5
DOIs	https://doi.org/10.1038/ncomms4715
Publication status	Published - 28 Apr 2014
Externally published	Yes

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Version archived for private and non-commercial use with the permission of the author/s and according to publisher conditions. For further rights please contact the publisher.

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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, {Mo 14(C4)4(C5)2}; 3, {Mo60(C4)10}; 4, {Mo48(C 4)6}; 5, {Mo34(C4)4}; 6, {Mo18(C4)9}; in only 200 automated experiments from a parameter space spanning ~5 million possible combinations.",

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AU - De La Oliva, Andreu Ruiz

AU - Miras, Haralampos N.

AU - Long, De Liang

AU - McBurney, Roy T.

AU - Cronin, Leroy

N1 - Version archived for private and non-commercial use with the permission of the author/s and according to publisher conditions. For further rights please contact the publisher.

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

Abstract

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