Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine.
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 [Mo(2)O(2)S(2)](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, {Mo(10)(C5)}; 2, {Mo(14)(C4)4(C5)2}; 3, {Mo(60)(C4)10}; 4, {Mo(48)(C4)6}; 5, {Mo(34)(C4)4}; 6, {Mo(18)(C4)9}; in only 200 automated experiments from a parameter space spanning ~5 million possible combinations.
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
Hong-Ying
HY
Zang
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
Andreu Ruiz
AR
de la Oliva
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
Haralampos N
HN
Miras
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
De-Liang
DL
Long
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
Roy T
RT
McBurney
WestCHEM, School of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK.
Leroy
L
Cronin
D000465:Algorithms; D002623:Chemistry Techniques, Analytical / Q000379:methods*; D015392:Chemistry, Inorganic / Q000379:methods*; D049329:Nanostructures / Q000737:chemistry*; D057386:Search Engine / Q000379:methods; D017973:Tungsten Compounds / Q000302:isolation & purification*; D000099294:Polyoxometalates
D017973:Tungsten Compounds; C102296:polyoxometalate I; D000099294:Polyoxometalates