Research Data Leeds Repository

Citation

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 Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/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:	https://archive.researchdata.leeds.ac.uk/id/eprint/686
Additional details Additional details Creators or authors: 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://ror.org/024mrxd33 ror Greatorex, Sam University of Leeds https://ror.org/024mrxd33 ror Fokin, Sergey V. https://orcid.org/0000-0002-1231-1282 Russian Academy of Sciences https://ror.org/05qrfxd25 ror Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 University of Leeds https://ror.org/024mrxd33 ror Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 University of Leeds https://ror.org/024mrxd33 ror Yamada, Mihoko https://orcid.org/0000-0002-3789-6600 Nara Institute of Science and Technology https://ror.org/05bhada84 ror Yoshinari, Nobuto https://orcid.org/0000-0003-2457-0967 Osaka University https://ror.org/035t8zc32 ror Konno, Takumi https://orcid.org/0000-0003-4612-5418 Osaka University https://ror.org/035t8zc32 ror Sproules, Stephen https://orcid.org/0000-0003-3587-0375 University of Glasgow https://ror.org/00vtgdb53 ror Ovcharenko, Victor I. https://orcid.org/0000-0002-8280-8112 Russian Academy of Sciences https://ror.org/05qrfxd25 ror 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: m.a.halcrow@leeds.ac.uk Last Modified: 23 Jul 2024 13:44

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Documentation

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