Strong antiferromagnetic interaction in μ-Oxo-bridged diiron(III) complex of pyridoxal Schiff base ligand

Strong antiferromagnetic interaction in μ-Oxo-bridged diiron(III) complex of pyridoxal Schiff base ligand | 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 Research Article Strong antiferromagnetic interaction in μ-Oxo-bridged diiron(III) complex of pyridoxal Schiff base ligand Viera Murašková, Václav Eigner, David Sedmidubský This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7482473/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 18 Feb, 2026 Read the published version in Transition Metal Chemistry → Version 1 posted 16 You are reading this latest preprint version Abstract Dinuclear and mononuclear pyridoxal Schiff base complexes, specifically [{FeL} 2 ( µ -O)]·2.2H 2 O ( 1 ) and [NiL’(H 2 O)]·2H 2 O ( 2 ) (where L 2– is the dianion of tetradentate Schiff base derived from pyridoxal and ethylenediamine, and L’ 2– is the dianion of pentadentate Schiff base ligand formed from pyridoxal and N -(2-aminoethyl)propane-1,3-diamine) have been synthesized and characterized by elemental analysis, FT-IR, and mass spectrometry. The crystal structures of these complexes were determined using single crystal X-ray diffraction. The Fe atoms in complex 1 exhibit a distorted square pyramidal coordination geometry, while Ni atom in complex 2 displays a distorted octahedral geometry. Experimental magnetic investigation of complex 1 indicated a strong antiferromagnetic coupling between the two Fe(III) centers and a paramagnetic behavior of an octahedral Ni(II) complex 2 with two unpaired electrons. Density functional theory (DFT) calculations were performed, and the calculation results were compared with the experimental structural and magnetic characteristics of the complexes. Pyridoxal Schiff base Diiron(III) Nickel(II) Complex Crystal structure Magnetism DFT calculations Full Text Additional Declarations No competing interests reported. Supplementary Files MuraskovaESI.docx Cite Share Download PDF Status: Published Journal Publication published 18 Feb, 2026 Read the published version in Transition Metal Chemistry → Version 1 posted Editorial decision: Revision requested 29 Sep, 2025 Reviews received at journal 21 Sep, 2025 Reviews received at journal 18 Sep, 2025 Reviews received at journal 16 Sep, 2025 Reviews received at journal 16 Sep, 2025 Reviews received at journal 05 Sep, 2025 Reviewers agreed at journal 04 Sep, 2025 Reviewers agreed at journal 04 Sep, 2025 Reviewers agreed at journal 04 Sep, 2025 Reviewers agreed at journal 03 Sep, 2025 Reviewers agreed at journal 02 Sep, 2025 Reviewers agreed at journal 02 Sep, 2025 Reviewers invited by journal 02 Sep, 2025 Editor assigned by journal 02 Sep, 2025 Submission checks completed at journal 02 Sep, 2025 First submitted to journal 28 Aug, 2025 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. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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-7482473","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":510713472,"identity":"90b51973-ceda-4d47-9e7a-778be0322eff","order_by":0,"name":"Viera 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Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false},"keywords":"Pyridoxal Schiff base, Diiron(III), Nickel(II), Complex, Crystal structure, Magnetism, DFT calculations","lastPublishedDoi":"10.21203/rs.3.rs-7482473/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7482473/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eDinuclear and mononuclear pyridoxal Schiff base complexes, specifically [{FeL}\u003csub\u003e2\u003c/sub\u003e(\u003cem\u003e\u0026micro;\u003c/em\u003e-O)]\u0026middot;2.2H\u003csub\u003e2\u003c/sub\u003eO (\u003cb\u003e1\u003c/b\u003e) and [NiL\u0026rsquo;(H\u003csub\u003e2\u003c/sub\u003eO)]\u0026middot;2H\u003csub\u003e2\u003c/sub\u003eO (\u003cb\u003e2\u003c/b\u003e) (where L\u003csup\u003e2\u0026ndash;\u003c/sup\u003e is the dianion of tetradentate Schiff base derived from pyridoxal and ethylenediamine, and L\u0026rsquo;\u003csup\u003e2\u0026ndash;\u003c/sup\u003e is the dianion of pentadentate Schiff base ligand formed from pyridoxal and \u003cem\u003eN\u003c/em\u003e-(2-aminoethyl)propane-1,3-diamine) have been synthesized and characterized by elemental analysis, FT-IR, and mass spectrometry. The crystal structures of these complexes were determined using single crystal X-ray diffraction. The Fe atoms in complex 1 exhibit a distorted square pyramidal coordination geometry, while Ni atom in complex 2 displays a distorted octahedral geometry. Experimental magnetic investigation of complex 1 indicated a strong antiferromagnetic coupling between the two Fe(III) centers and a paramagnetic behavior of an octahedral Ni(II) complex 2 with two unpaired electrons. Density functional theory (DFT) calculations were performed, and the calculation results were compared with the experimental structural and magnetic characteristics of the complexes.\u003c/p\u003e","manuscriptTitle":"Strong antiferromagnetic interaction in μ-Oxo-bridged diiron(III) complex of pyridoxal Schiff base ligand","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-09-08 13:23:59","doi":"10.21203/rs.3.rs-7482473/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2025-09-29T16:59:27+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-09-22T01:03:58+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-09-18T06:34:37+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-09-16T18:29:06+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-09-16T07:15:04+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-09-05T09:53:12+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"221198719303743379461500002543997302528","date":"2025-09-04T16:08:58+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"198192153060764132591334741358157153502","date":"2025-09-04T15:45:45+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"140359631999674823173698691597692608540","date":"2025-09-04T15:23:47+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"290485396434206367389694255024744591697","date":"2025-09-03T06:39:10+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"16721103703311782089780352089891970293","date":"2025-09-03T01:55:25+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"177127644341456537516945601451235620720","date":"2025-09-02T17:52:07+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2025-09-02T14:50:06+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2025-09-02T14:33:51+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2025-09-02T13:13:16+00:00","index":"","fulltext":""},{"type":"submitted","content":"Transition Metal Chemistry","date":"2025-08-28T17:13:44+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"transition-metal-chemistry","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"tmch","sideBox":"Learn more about [Transition Metal Chemistry](http://link.springer.com/journal/11243)","snPcode":"11243","submissionUrl":"https://submission.nature.com/new-submission/11243/3","title":"Transition Metal Chemistry","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"em","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"b85085bd-2e71-4190-86fb-0656daecb16e","owner":[],"postedDate":"September 8th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[],"tags":[],"updatedAt":"2026-02-23T16:07:39+00:00","versionOfRecord":{"articleIdentity":"rs-7482473","link":"https://doi.org/10.1007/s11243-025-00713-y","journal":{"identity":"transition-metal-chemistry","isVorOnly":false,"title":"Transition Metal Chemistry"},"publishedOn":"2026-02-18 15:57:46","publishedOnDateReadable":"February 18th, 2026"},"versionCreatedAt":"2025-09-08 13:23:59","video":"","vorDoi":"10.1007/s11243-025-00713-y","vorDoiUrl":"https://doi.org/10.1007/s11243-025-00713-y","workflowStages":[]},"version":"v1","identity":"rs-7482473","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7482473","identity":"rs-7482473","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}