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Compound_2_electrochemistry.xlsx

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Compound_2_modelling.xlsx

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Compound_2_UV-vis.xlsx

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Compound_3_electrochemistry.xlsx

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Compound_3_modelling.xlsx

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Compound_3_UV-vis.xlsx

data 929 2 5433 document 929 Symes-Solvatochromism-open-access-data-readme.rtf text/rtf 200caf2dfec7c5923e284660a585c602 MD5 110640 2016-09-08 09:08:09 https://researchdata.gla.ac.uk/350/7/Symes-Solvatochromism-open-access-data-readme.rtf 350 7 7 text/rtf Text en public cc_by_4

Symes-Solvatochromism-open-access-data-readme.rtf

readme archive 5 disk0/00/00/03/50 2016-09-08 08:52:21 2025-05-22 10:17:17 2016-09-08 09:14:58 data_collection show Cioncoloni Giacomo 42049 Senn Hans 6005 0000-0001-8232-5957 Sproules Stephen 30520 0000-0003-3587-0375 Wilson Claire 32950 0000-0002-0090-5374 Symes Mark 15851 0000-0001-8067-5240 glaresearchdata:2016-09-08-350 pub 30100000 Complexes of Co(III) containing mixed chelating diimine and o-quinone ligand sets are of fundamental interest on account of their fascinating magnetic and electronic properties. Whilst complexes of this type containing one diimine and two o-quinone ligands have been studied extensively, those with the reverse stoichiometry (two diimines and one o-quinone) are much rarer. Herein, we describe a ready route to the synthesis of the complex [CoIII(o-catecholate) (2,2'-bipyridine)2]+ (1), and also report the synthesis of [CoIII(o-catecholate)(5,5′-dimethyl-2,2′-bipyridine)2]+ (2) and [CoIII(o-benezenedithiolate)(5,5′-dimethyl-2,2′-bipyridine)2]+ (3) for the first time. Spectroscopic studies show that complex 2 displays intriguing solvatochromic behaviour as a function of solvent hydrogen bond donation ability, a property of this type of complex which has hitherto not been reported. Time-dependent density function theory (TD-DFT) shows that this effect arises as a result of hydrogen bonding between the solvent and the oxygen atoms of the catecholate ligand. In contrast, the sulfur atoms in the benzenedithiolate analogue 3 are much weaker acceptors of hydrogen bonds from the solvent, meaning that complex 3 is only very weakly solvatochromic. Finally, we show that complex 2 has some potential as a molecular probe that can report on the composition of mixed solvent systems as a function of its absorbance spectrum. 2016-09-08 published University of Glasgow 10.5525/gla.researchdata.350 Spreadsheet Text 62131 1 Upgrading the small scale equipment base for early career researchers in the engineering and physical sciences Miles Padgett Engineering & Physical Sciences Research Council (EPSRC) EP/K031732/1 S&E P&A - PHYSICS & ASTRONOMY 64661 1 Programmable 'Digital' Synthesis for Discovery and Scale-up of Molecules, Clusters and Nanomaterials Leroy Cronin Engineering & Physical Sciences Research Council (EPSRC) EP/L023652/1 CHEM - CHEMISTRY FALSE en http://pubs.rsc.org/en/content/articlepdf/2014/DT/C6DT02807A?page=search article 2026-09-08 R FALSE FALSE http://eprints.gla.ac.uk/id/eprint/124343