Low Temperature Insights into the Crystal and Magnetic Structure of a Neutral Radical Ferromagnet

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dc.contributor.authorOakley, Richard
dc.contributor.authorRobertson, Craig
dc.contributor.authorWinter, Stephen
dc.contributor.authorHoward, Judith
dc.contributor.authorProbert, Michael
dc.date.accessioned2021-09-29T18:12:37Z
dc.date.available2021-09-29T18:12:37Z
dc.date.issued2021-09-16
dc.description.abstractThe crystal structure of the radical ferromagnet 1a at 2 K reveals a contraction in the unit cell c constant which, at the molecular level, translates into a decrease in slippage of the radical π-stacks and an increase in ferromagnetic exchange interactions along the stacking axis. The results of BS-DFT calculations using long-range corrected functionals are consistent with an overall ferromagnetic topology.en
dc.description.sponsorshipNSERC of Canada || Wake Forest University Center for Functional Materials || EPSRCen
dc.identifier.urihttps://doi.org/10.1039/D1CC03842G
dc.identifier.urihttp://hdl.handle.net/10012/17584
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.relation.ispartofseriesChemical Communications;
dc.relation.urihttps://www.rsc.org/suppdata/d1/cc/d1cc03842g/d1cc03842g1.pdf?_ga=2.80322135.1173775901.1631621931-494926951.1503174559en
dc.relation.urihttps://www.rsc.org/suppdata/d1/cc/d1cc03842g/d1cc03842g2.cif?_ga=2.74674898.1173775901.1631621931-494926951.1503174559en
dc.subjectX-ray crystallographyen
dc.subjectlow temperatureen
dc.subjectferromagnetismen
dc.subjectneutral radicalen
dc.subjectDFT calculationsen
dc.titleLow Temperature Insights into the Crystal and Magnetic Structure of a Neutral Radical Ferromagneten
dc.typeArticleen
dcterms.bibliographicCitationRobertson, C. M., Winter, S. M., Howard, J. A. K., Probert, M. R., & Oakley, R. T. (2021). Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet. Chemical Communications. https://doi.org/10.1039/D1CC03842Gen
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Chemistryen
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.typeOfResourceTexten

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