Research Data Leeds Repository

Data to support study of Modulating the Magnetic Properties of Copper(II)/Nitroxyl Heterospin Complexes by Suppression of the Jahn-Teller Distortion

Halcrow, Malcolm A and Greatorex, Sam and Fokin, Sergey V and Kulmaczewski, Rafał and Cespedes, Oscar and Yamada, Mihoko and Yoshinari, Nobuto and Konno, Takumi and Sproules, Stephen and Ovcharenko, Victor I (2020) Data to support study of Modulating the Magnetic Properties of Copper(II)/Nitroxyl Heterospin Complexes by Suppression of the Jahn-Teller Distortion. University of Leeds. [Dataset] https://doi.org/10.5518/591

Dataset description

Ferromagnetic coupling between the Cu and L1 ligand radical spins in [Cu(L)L1][BF4]2 (L1 = 2,6-bis{1-oxyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-2-yl}pyridine) is enhanced by a sterically bulky ‘L’ co-ligand.

Keywords:	copper; nitroxyl; Jahn-Teller effect; magnetic properties
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Mathematics and Physical Sciences > School of Chemistry
Related resources:	Location Type 10.1021/acs.inorgchem.0c01345 Publication http://eprints.whiterose.ac.uk/161623/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	09 Jun 2020 16:02
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/686
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 https://orcid.org/0000-0002-0512-3830 University Of Leeds https://doi.org/10.13039/501100000777 crossref Fokin, Sergey V Russian Academy of Sciences https://doi.org/10.13039/501100002674 crossref Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 University Of Leeds https://doi.org/10.13039/501100000777 crossref Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 University Of Leeds https://doi.org/10.13039/501100000777 crossref Yamada, Mihoko https://orcid.org/0000-0002-3789-6600 Nara Institute of Science and Technology, Japan Yoshinari, Nobuto https://orcid.org/0000-0003-2457-0967 Osaka University https://doi.org/10.13039/501100004206 crossref Konno, Takumi https://orcid.org/0000-0003-4612-5418 Osaka University https://doi.org/10.13039/501100004206 crossref Sproules, Stephen https://orcid.org/0000-0003-3587-0375 University Of Glasgow https://doi.org/10.13039/501100000853 crossref Ovcharenko, Victor I https://orcid.org/0000-0002-8280-8112 Russian Academy of Sciences https://doi.org/10.13039/501100002674 crossref Type of data: Dataset Research funders: Royal Society, EPSRC, EPSRC, EPSRC Grant numbers: IE150010, EP/M506552/1, EP/K012568/1, EP/K00512X/1 Publication date: 2020 Resource language: English Metadata language: English Research project title: International exchange, DTP grant to Leeds School of Chemistry, Switchable molecular crystals, SQUID magnetometer Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 10 Jun 2020 17:10

Files

Documentation

compound naming and metadata [1MB] compound naming and metadata [1MB] compound naming and metadata [1MB] 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: 1MB

Data

CHN microanalyses [896kB] CHN microanalyses [896kB] CHN microanalyses [896kB] Visible to: Anyone File name: Microanalysis.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 896kB

Single crystal X-ray diffraction [738kB] Single crystal X-ray diffraction [738kB] Single crystal X-ray diffraction [738kB] 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: 738kB

Magnetic susceptibility [631kB] Magnetic susceptibility [631kB] Magnetic susceptibility [631kB] Visible to: Anyone File name: SQUID.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 631kB

Density functional calculations [113MB] Density functional calculations [113MB] Density functional calculations [113MB] Visible to: Anyone File name: DFT.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 113MB

Mass spectra [615kB] Mass spectra [615kB] Mass spectra [615kB] Visible to: Anyone File name: Mass_spectra.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 615kB