Research Data Leeds Repository

Data to support study of Rigidification of a Macrocyclic Tris-Catecholate Scaffold Leads to Electronic Localisation of its Mixed Valent Redox Product

Halcrow, Malcolm A and Greatorex, Sam and Vincent, Kevin B and Baldansuren, Amgalanbaatar and McInnes, Eric J L and Patmore, Nathan J and Sproules, Stephen (2019) Data to support study of Rigidification of a Macrocyclic Tris-Catecholate Scaffold Leads to Electronic Localisation of its Mixed Valent Redox Product. University of Leeds. [Dataset] https://doi.org/10.5518/557

Dataset description

The mixed valent radical obtained by oxidation of the platinum complex of a new tris-catecholate macrocycle has a class I, electronically localised structure.

Keywords:	transition metals; dioxolene ligands; voltammetry; spectroelectrochemistry; EPR spectroscopy; DFT calculations
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1039/C8CC10122A Publication http://eprints.whiterose.ac.uk/141857/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	27 Feb 2019 13:48
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/494
Additional details Additional details Creators: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Halcrow, Malcolm A https://orcid.org/0000-0001-7491-9034 University Of Leeds https://doi.org/10.13039/501100000777 crossref Greatorex, Sam University Of Leeds https://doi.org/10.13039/501100000777 crossref Vincent, Kevin B https://orcid.org/0000-0002-5803-0291 University of East Anglia https://doi.org/10.13039/501100000736 crossref Baldansuren, Amgalanbaatar https://orcid.org/0000-0001-8767-3731 University Of Manchester https://doi.org/10.13039/501100000770 crossref McInnes, Eric J L https://orcid.org/0000-0002-4090-7040 University Of Manchester https://doi.org/10.13039/501100000770 crossref Patmore, Nathan J https://orcid.org/0000-0002-4910-966X University of Huddersfield https://doi.org/10.13039/100010028 crossref Sproules, Stephen https://orcid.org/0000-0003-3587-0375 University Of Glasgow https://doi.org/10.13039/501100000853 crossref Type of data: Dataset Research funders: EPSRC Grant numbers: EP/M506552/1 Publication date: 2019 Resource language: English Metadata language: English Research project title: DTP grant to Leeds School of Chemistry Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 10 Jun 2020 17:11

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Documentation

compound naming and metadata [126kB] compound naming and metadata [126kB] compound naming and metadata [126kB] Visible to: Anyone File name: readme.pdf Content type: Documentation Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 126kB

Data

CHN microanalysis [398kB] CHN microanalysis [398kB] CHN microanalysis [398kB] Visible to: Anyone File name: Microanalysis.pdf Content type: Data Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 398kB

NMR spectra [2MB] NMR spectra [2MB] NMR spectra [2MB] Visible to: Anyone File name: NMR.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 2MB

Mass spectra [75MB] Mass spectra [75MB] Mass spectra [75MB] Visible to: Anyone File name: ESMS.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 75MB

Single crystal X-ray diffraction [301kB] Single crystal X-ray diffraction [301kB] Single crystal X-ray diffraction [301kB] Visible to: Anyone File name: crystal.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 301kB

Voltammetry [53kB] Voltammetry [53kB] Voltammetry [53kB] Visible to: Anyone File name: voltammetry.zip Content type: Data Mime-Type: XRPD.zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 53kB

EPR spectra [271kB] EPR spectra [271kB] EPR spectra [271kB] Visible to: Anyone File name: EPR.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 271kB

UV/vis/NIR spectroelectrochemistry [29kB] UV/vis/NIR spectroelectrochemistry [29kB] UV/vis/NIR spectroelectrochemistry [29kB] Visible to: Anyone File name: spectroelectrochemistry.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 29kB