Tunable trimers: using temperature and pressure to control luminescent emission in gold(I) pyrazolate-based trimers

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dc.contributor.author Woodall, Christopher H.
dc.contributor.author Fuertes, Sara
dc.contributor.author Beavers, Christine M.
dc.contributor.author Hatcher, Lauren E.
dc.contributor.author Parlett, Andrew
dc.contributor.author Shepherd, Helena J.
dc.contributor.author Christensen, Jeppe
dc.contributor.author Teat, Simon J.
dc.contributor.author Intissar, Mourad
dc.contributor.author Rodrigue-Witchel, Alexandre
dc.contributor.author Suffren, Yan
dc.contributor.author Reber, Christian
dc.contributor.author Hendon, Christopher H.
dc.contributor.author Tiana, Davide
dc.contributor.author Walsh, Aron
dc.contributor.author Raithby, Paul R.
dc.date.accessioned 2018-07-05T10:51:36Z
dc.date.available 2018-07-05T10:51:36Z
dc.date.issued 2014-10-21
dc.identifier.citation Woodall, C. H., Fuertes, S. , Beavers, C. M., Hatcher, L. E., Parlett, A. , Shepherd, H. J., Christensen, J. , Teat, S. J., Intissar, M. , Rodrigue‐Witchel, A. , Suffren, Y. , Reber, C. , Hendon, C. H., Tiana, D. , Walsh, A. and Raithby, P. R. (2014) 'Tunable Trimers: Using Temperature and Pressure to Control Luminescent Emission in Gold(I) Pyrazolate-Based Trimers', Chemistry – A European Journal, 20(51), pp. 16933-16942. doi: 10.1002/chem.201404058 en
dc.identifier.volume 20 en
dc.identifier.startpage 16933 en
dc.identifier.endpage 16942 en
dc.identifier.issn 0947-6539
dc.identifier.uri http://hdl.handle.net/10468/6415
dc.identifier.doi 10.1002/chem.201404058
dc.description.abstract A systematic investigation into the relationship between the solid‐state luminescence and the intermolecular Au⋅⋅⋅Au interactions in a series of pyrazolate‐based gold(I) trimers; tris(μ2‐pyrazolato‐N,N′)‐tri‐gold(I) (1), tris(μ2‐3,4,5‐ trimethylpyrazolato‐N,N′)‐tri‐gold(I) (2), tris(μ2‐3‐methyl‐5‐phenylpyrazolato‐N,N′)‐tri‐gold(I) (3) and tris(μ2‐3,5‐diphenylpyrazolato‐N,N′)‐tri‐gold(I) (4) has been carried out using variable temperature and high pressure X‐ray crystallography, solid‐state emission spectroscopy, Raman spectroscopy and computational techniques. Single‐crystal X‐ray studies show that there is a significant reduction in the intertrimer Au⋅⋅⋅Au distances both with decreasing temperature and increasing pressure. In the four complexes, the reduction in temperature from 293 to 100 K is accompanied by a reduction in the shortest intermolecular Au⋅⋅⋅Au contacts of between 0.04 and 0.08 Å. The solid‐state luminescent emission spectra of 1 and 2 display a red shift with decreasing temperature or increasing pressure. Compound 3 does not emit under ambient conditions but displays increasingly red‐shifted luminescence upon cooling or compression. Compound 4 remains emissionless, consistent with the absence of intermolecular Au⋅⋅⋅Au interactions. The largest pressure induced shift in emission is observed in 2 with a red shift of approximately 630 cm−1 per GPa between ambient and 3.80 GPa. The shifts in all the complexes can be correlated with changes in Au⋅⋅⋅Au distance observed by diffraction. en
dc.description.sponsorship Engineering and Physical Sciences Research Council (Projects (EP/K012576/1 and EP/K004956/1), Studentship funding (EP/F021151/1), (Grant No. EP/F067496)); U.S. Department of Energy (Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231); National Science Foundation ( COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR 11-57758) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher Wiley en
dc.relation.uri https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201404058
dc.rights © 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. en
dc.rights.uri https://creativecommons.org/licenses/by/4.0/ en
dc.subject Negative linear compressibility en
dc.subject Molecular-crystal structures en
dc.subject Hirshfeld surface-analysis en
dc.subject Trinuclear gold(I) en
dc.subject Intermolecular interactions en
dc.subject Aurophilic interactions en
dc.subject Complexes en
dc.subject Diffraction en
dc.subject Cluster en
dc.subject GPA en
dc.subject Aurophilicity en
dc.subject Crystallography en
dc.subject Gold en
dc.subject High pressure en
dc.subject Luminescence en
dc.title Tunable trimers: using temperature and pressure to control luminescent emission in gold(I) pyrazolate-based trimers en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Davide Tiana, Chemistry, University College Cork, Cork, Ireland. +353-21-490-3000 Email: davide.tiana@ucc.ie en
dc.internal.availability Full text available en
dc.date.updated 2018-07-03T11:22:21Z
dc.description.version Published Version en
dc.internal.rssid 391816970
dc.internal.wokid WOS:000346056600015
dc.contributor.funder Engineering and Physical Sciences Research Council en
dc.contributor.funder University of Bath en
dc.contributor.funder European Research Council en
dc.contributor.funder Seventh Framework Programme en
dc.contributor.funder U.S. Department of Energy en
dc.contributor.funder National Science Foundation en
dc.contributor.funder Natural Sciences and Engineering Research Council of Canada en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Chemistry - A European Journal en
dc.internal.copyrightchecked Yes en
dc.internal.licenseacceptance Yes en
dc.internal.IRISemailaddress davide.tiana@ucc.ie en
dc.relation.project info:eu-repo/grantAgreement/EC/FP7::SP2::ERC/277757/EU/Hybrid Semiconductors: Design Principles and Material Applications/HYBRIDS en
dc.relation.project info:eu-repo/grantAgreement/RCUK/EPSRC/EP/K012576/1/GB/Understanding and engineering function in switchable molecular crystals/
dc.relation.project info:eu-repo/grantAgreement/RCUK/EPSRC/EP/K004956/1/GB/Applying Long-lived Metastable States with Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials/
dc.relation.project info:eu-repo/grantAgreement/RCUK/EPSRC/EP/F021151/1/GB/Non-ambient Studies on Opto-electronic Materials/
dc.relation.project info:eu-repo/grantAgreement/RCUK/EPSRC/EP/F067496/1/GB/Modelling of Advanced Functional Materials using Terascale Computing/


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© 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. Except where otherwise noted, this item's license is described as © 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
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