Adding Time-Domain 161Dy Mössbauer to the Mix: a Multitechnique Investigation of Magnetic Transitions in a {CoIII3DyIII3} Cluster with a Toroidal Moment

Adding Time-Domain 161Dy Mössbauer to the Mix: a Multitechnique Investigation of Magnetic Transitions in a {CoIII3DyIII3} Cluster with a Toroidal Moment | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Adding Time-Domain 161 Dy Mössbauer to the Mix: a Multitechnique Investigation of Magnetic Transitions in a {Co III 3 Dy III 3 } Cluster with a Toroidal Moment Annie Powell, Yan Peng, Jonas Braun, Lena Scherthan, Hendrik Auerbach, and 14 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7102700/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 28 Apr, 2026 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Abstract The coordination cluster [Co III 3 Dy III 3 (µ 3 -OH) 4 (O 2 C-C 6 H 4 - p -Me) 6 (pmide) 3 (H 2 O) 3 ]Cl 2 ∙10MeCN ( 1 ) (where H 2 pmide = N -2-pyridylmethyldiethanolamine) crystallizes on a threefold site in the trigonal space group P 3 c1 . The cluster core contains one equilateral Dy 3 III triangle and one triangle of diamagnetic Co III ions to give a shuttlecock-like molecular structure. The magnetic spin structure has been investigated using a multi-technique approach. In addition to the magnetic susceptibility, we report 161 Dy Synchrotron Mössbauer Spectroscopy (SMS) which shows an abrupt transition from a non-magnetic to a magnetic state which is in line with the transition observed in complementary measurements. The experimental orientations of the individual axes were independently assessed using torque magnetometry and micro-SQUID measurements and both experiments converged on a spin structure that can be correlated with the crystal structure. The results are also in agreement with those from ab initio CASSCF/SO-RASSI calculations, which also showed that a hydrogen-bonded chloride counterion has a significant effect on the magnetic structure. Physical sciences/Chemistry/Coordination chemistry Physical sciences/Chemistry/Inorganic chemistry Full Text Additional Declarations There is NO Competing Interest. Supplementary Files ypcodycheckcif.pdf Checkcif Co3Dy3SIFinal.docx Electronic Supplementary Information Cite Share Download PDF Status: Published Journal Publication published 28 Apr, 2026 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-7102700","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":486988362,"identity":"b74cbc85-be0f-41a0-98f4-ef103e738f86","order_by":0,"name":"Annie 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Investigation of Magnetic Transitions in a {Co\u003csup\u003eIII\u003c/sup\u003e\u003csub\u003e3\u003c/sub\u003eDy\u003csup\u003eIII\u003c/sup\u003e\u003csub\u003e3\u003c/sub\u003e} Cluster with a Toroidal Moment\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":true,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"nature-portfolio","isNatureJournal":true,"hasQc":false,"allowDirectSubmit":false,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"","title":"Nature Portfolio","twitterHandle":"","acdcEnabled":false,"dfaEnabled":false,"editorialSystem":"ejp","reportingPortfolio":"","inReviewEnabled":true,"inReviewRevisionsEnabled":false},"keywords":"","lastPublishedDoi":"10.21203/rs.3.rs-7102700/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7102700/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThe coordination cluster [Co\u003csup\u003eIII\u003c/sup\u003e\u003csub\u003e3\u003c/sub\u003eDy\u003csup\u003eIII\u003c/sup\u003e\u003csub\u003e3\u003c/sub\u003e(µ\u003csub\u003e3\u003c/sub\u003e-OH)\u003csub\u003e4\u003c/sub\u003e(O\u003csub\u003e2\u003c/sub\u003eC-C\u003csub\u003e6\u003c/sub\u003eH\u003csub\u003e4\u003c/sub\u003e-\u003cem\u003ep\u003c/em\u003e-Me)\u003csub\u003e6\u003c/sub\u003e(pmide)\u003csub\u003e3\u003c/sub\u003e(H\u003csub\u003e2\u003c/sub\u003eO)\u003csub\u003e3\u003c/sub\u003e]Cl\u003csub\u003e2\u003c/sub\u003e∙10MeCN (\u003cstrong\u003e1\u003c/strong\u003e) (where H\u003csub\u003e2\u003c/sub\u003epmide = \u003cem\u003eN\u003c/em\u003e-2-pyridylmethyldiethanolamine) crystallizes on a threefold site in the trigonal space group \u003cem\u003eP\u003c/em\u003e\u003cu\u003e\u003cem\u003e3\u003c/em\u003e\u003c/u\u003e\u003cem\u003ec1\u003c/em\u003e. The cluster core contains one equilateral Dy\u003csub\u003e3\u003c/sub\u003e\u003csup\u003eIII\u003c/sup\u003e triangle and one triangle of diamagnetic Co\u003csup\u003eIII\u003c/sup\u003e ions to give a shuttlecock-like molecular structure. The magnetic spin structure has been investigated using a multi-technique approach. In addition to the magnetic susceptibility, we report \u003csup\u003e161\u003c/sup\u003eDy Synchrotron Mössbauer Spectroscopy (SMS) which shows an abrupt transition from a non-magnetic to a magnetic state which is in line with the transition observed in complementary measurements. The experimental orientations of the individual axes were independently assessed using torque magnetometry and micro-SQUID measurements and both experiments converged on a spin structure that can be correlated with the crystal structure. The results are also in agreement with those from \u003cem\u003eab initio\u003c/em\u003e CASSCF/SO-RASSI calculations, which also showed that a hydrogen-bonded chloride counterion has a significant effect on the magnetic structure.\u0026nbsp;\u0026nbsp;\u0026nbsp;\u003c/p\u003e","manuscriptTitle":"Adding Time-Domain 161Dy Mössbauer to the Mix: a Multitechnique Investigation of Magnetic Transitions in a {CoIII3DyIII3} Cluster with a Toroidal Moment","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-07-21 09:18:55","doi":"10.21203/rs.3.rs-7102700/v1","editorialEvents":[],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"nature-communications","isNatureJournal":true,"hasQc":false,"allowDirectSubmit":false,"externalIdentity":"NCOMMS","sideBox":"Learn more about [Nature Communications](http://www.nature.com/ncomms/)","snPcode":"","submissionUrl":"https://mts-ncomms.nature.com/","title":"Nature Communications","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"ejp","reportingPortfolio":"Nature Communications","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"c96493ed-7cfa-444e-a40e-c555655b114d","owner":[],"postedDate":"July 21st, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[{"id":51844885,"name":"Physical sciences/Chemistry/Coordination chemistry"},{"id":51844886,"name":"Physical sciences/Chemistry/Inorganic chemistry"}],"tags":[],"updatedAt":"2026-04-30T08:59:01+00:00","versionOfRecord":{"articleIdentity":"rs-7102700","link":"https://doi.org/10.1038/s41467-026-71058-y","journal":{"identity":"nature-communications","isVorOnly":false,"title":"Nature Communications"},"publishedOn":"2026-04-28 04:00:00","publishedOnDateReadable":"April 28th, 2026"},"versionCreatedAt":"2025-07-21 09:18:55","video":"","vorDoi":"10.1038/s41467-026-71058-y","vorDoiUrl":"https://doi.org/10.1038/s41467-026-71058-y","workflowStages":[]},"version":"v1","identity":"rs-7102700","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7102700","identity":"rs-7102700","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}