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

Zang, H.-Y., Ruiz de la Oliva, A., Miras, H. N. , Long, D.-L. , McBurney, R. T. and Cronin, L. (2014) Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine. Nature Communications, 5(3715), pp. 1-8. (doi:10.1038/ncomms4715)

[img]
Preview
Text
93484.pdf - Published Version
Available under License Creative Commons Attribution Non-commercial No Derivatives.

1MB

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]2þ-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.

Item Type:Articles
Keywords:Chemical sciences; Inorganic chemistry; Materials science; Nanotechnology
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Long, Dr De Liang and Moiras, Dr Charalampos and Cronin, Professor Leroy
Authors: Zang, H.-Y., Ruiz de la Oliva, A., Miras, H. N., Long, D.-L., McBurney, R. T., and Cronin, L.
Subjects:Q Science > QD Chemistry
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Nature Communications
Publisher:Nature Publishing Group
ISSN:2041-1723
ISSN (Online):2041-1723
Copyright Holders:Copyright © 2014 Macmillan Publishers Limited
First Published:First published in Nature Communications 5(3715):1-8
Publisher Policy:Reproduced under a Creative Commons License

University Staff: Request a correction | Enlighten Editors: Update this record

Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
503291Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular LimitLeroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/H024107/1CHEM - CHEMISTRY
562821Innovative Manufacturing Research Centre for Continuous Manufacturing and Crystallisation (CMAC)Leroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/I033459/1CHEM - CHEMISTRY
577391Programmable Molecular Metal Oxides (PMMOs) - From Fundamentals to ApplicationLeroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/J015156/1CHEM - CHEMISTRY