Impact of Transition Metals (M=Mn, Fe, Co, Ni, Cu, Zn) on the Formation of Local and Crystal Structure of MBTC Phases

Impact of Transition Metals (M=Mn, Fe, Co, Ni, Cu, Zn) on the Formation of Local and Crystal Structure of MBTC Phases | 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 Impact of Transition Metals ( M =Mn, Fe, Co, Ni, Cu, Zn) on the Formation of Local and Crystal Structure of M BTC Phases Elena Domoroshchina, Galina Kuz’micheva, Ivan Akin’shin, Roman Svetogorov, and 3 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5842923/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract In this work, the results of studying the composition (bulk and surface), structure (crystal and local) and biocidal properties of metal-organic frameworks (MOFs) based on benzene-1,3,5-tricarboxylic acid (H 3 BTC), called M BTC ( M =Fe, Mn, Co, Ni, Cu, Zn; M 2+ Cl 2 ·4H 2 O precursor), obtained by a hydrothermal method under the same process conditions were presented. XRPD, XAS, XPS, SEM, and FTIR methods were used. The formal charge (FC) was determined for Fe 3+ , Cu 2+ (Jahn-Teller ion), Zn 2+ and, for the first time, a mixed FC was determined for Co (3,2)+ , Ni (3,2)+ and Mn (3,2)+ (with a higher content of Mn 3+ Jahn-Teller ions). It was shown that in the M - BTC system, depending on FC M , MOFs with different types of structures are formed (MIL-100 with Fe, sp. gr. Fd3m; HKUST-1 with Cu, sp. gr. Fm3m; M BTC with M =Mn, Co, Ni, sp. gr. P ; M BTC with Zn, sp. gr. C2), in which the coordination environment of M ions is different. The results obtained made it possible to divide MOF structures into 4 groups depending on the nature of the М metals. This allows predicting the topological structural types of M BTC based on the electronic structure of М ions. The results of studying the antimicrobial activity of M BTCs indicate a possible connection between the biocidal properties of bacteria and the electronic structure of M . metal-organic frameworks transition metals BTC linker crystal structure local structure composition biocidal properties Full Text Additional Declarations The authors declare no competing interests. Cite Share Download PDF Status: Posted 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-5842923","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":403082420,"identity":"aaafd5c1-44c2-42a2-904b-fb6ec1ca661f","order_by":0,"name":"Elena Domoroshchina","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAABDUlEQVRIiWNgGAWjYDACdjDJDOEwNjAksAGpBwwMEjI4tTBj0cJsANTCQ7wWIMUmASRwauFnZj724AeDtZxue+/Dhz932OXxSTc/q7pRY8HDIH3GAJsWyWa2dMMehnRjszPHjY15zyQXs8kcM7udcwzoML4crFoMDvOYAWUPJ267kcYmzdh2ILFNIgGohQ0oyMODVYv9Yf5vkn+gWiR/grWkfyvO+YdbiwEzD5s0zBYJXrCWHDPm3DbcWiQOs5lJy4D9cozZmLctGaSlWDq3T4KHjYetAGuItTc/k3wDDDGz422MD3+22SXOn5G+8XPOtzo5fh7mDdiDGQgY/2ETZcOpfhSMglEwCkYBIQAAYipRf5VQTEMAAAAASUVORK5CYII=","orcid":"","institution":"MIREA - 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Russian Technological University","correspondingAuthor":false,"prefix":"","firstName":"Quang","middleName":"","lastName":"Nguyen","suffix":""}],"badges":[],"createdAt":"2025-01-16 14:59:00","currentVersionCode":1,"declarations":{"humanSubjects":false,"vertebrateSubjects":false,"conflictsOfInterestStatement":false,"humanSubjectEthicalGuidelines":false,"humanSubjectConsent":false,"humanSubjectClinicalTrial":false,"humanSubjectCaseReport":false,"vertebrateSubjectEthicalGuidelines":false},"doi":"10.21203/rs.3.rs-5842923/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-5842923/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":74040019,"identity":"0d6aae94-8d61-4cc9-8182-d777ed6ce4c9","added_by":"auto","created_at":"2025-01-17 08:17:47","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":4369006,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscriptpreprint.pdf","url":"https://assets-eu.researchsquare.com/files/rs-5842923/v1_covered_30b23010-b373-40ce-8a2d-899c657b7d13.pdf"}],"financialInterests":"The authors declare no competing interests.","formattedTitle":"\u003cp\u003e\u003cstrong\u003eImpact of Transition Metals (\u003c/strong\u003e\u003cem\u003e\u003cstrong\u003eM\u003c/strong\u003e\u003c/em\u003e\u003cstrong\u003e=Mn, Fe, Co, Ni, Cu, Zn) on the Formation of Local and Crystal Structure of \u003c/strong\u003e\u003cem\u003e\u003cstrong\u003eM\u003c/strong\u003e\u003c/em\u003e\u003cstrong\u003eBTC Phases\u003c/strong\u003e\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"metal-organic frameworks, transition metals, BTC linker, crystal structure, local structure, composition, biocidal properties","lastPublishedDoi":"10.21203/rs.3.rs-5842923/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-5842923/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eIn this work, the results of studying the composition (bulk and surface), structure (crystal and local) and biocidal properties of metal-organic frameworks (MOFs) based on benzene-1,3,5-tricarboxylic acid (H\u003csub\u003e3\u003c/sub\u003eBTC), called \u003cem\u003eM\u003c/em\u003eBTC (\u003cem\u003eM\u003c/em\u003e=Fe, Mn, Co, Ni, Cu, Zn; \u003cem\u003eM\u003c/em\u003e\u003csup\u003e 2+\u003c/sup\u003eCl\u003csub\u003e2\u003c/sub\u003e·4H\u003csub\u003e2\u003c/sub\u003eO precursor), obtained by a hydrothermal method under the same process conditions were presented. XRPD, XAS, XPS, SEM, and FTIR methods were used. The formal charge (FC) was determined for Fe\u003csup\u003e3+\u003c/sup\u003e, Cu\u003csup\u003e2+\u003c/sup\u003e (Jahn-Teller ion), Zn\u003csup\u003e2+\u003c/sup\u003e and, for the first time, a mixed FC was determined for Co\u003csup\u003e(3,2)+\u003c/sup\u003e, Ni\u003csup\u003e(3,2)+\u003c/sup\u003e and Mn\u003csup\u003e(3,2)+ \u003c/sup\u003e(with a higher content of Mn\u003csup\u003e3+\u003c/sup\u003e Jahn-Teller ions). It was shown that in the \u003cem\u003eM\u003c/em\u003e - BTC system, depending on FC\u003cem\u003eM\u003c/em\u003e, MOFs with different types of structures are formed (MIL-100 with Fe, sp. gr. Fd3m; HKUST-1 with Cu, sp. gr. Fm3m; \u003cem\u003eM\u003c/em\u003eBTC with \u003cem\u003eM\u003c/em\u003e=Mn, Co, Ni, sp. gr. P\u003cimg width=\"7\" height=\"14\" src=\"file:////Users/elenadomorosina/Library/Group%20Containers/UBF8T346G9.Office/TemporaryItems/msohtmlclip/clip_image002.png\"/\u003e; \u003cem\u003eM\u003c/em\u003eBTC with Zn, sp. gr. C2), in which the coordination environment of \u003cem\u003eM\u003c/em\u003e ions is different. The results obtained made it possible to divide MOF structures into 4 groups depending on the nature of the \u003cem\u003eМ\u003c/em\u003e metals. This allows predicting the topological structural types of \u003cem\u003eM\u003c/em\u003eBTC based on the electronic structure of \u003cem\u003eМ\u003c/em\u003e ions. The results of studying the antimicrobial activity of \u003cem\u003eM\u003c/em\u003eBTCs indicate a possible connection between the biocidal properties of bacteria and the electronic structure of \u003cem\u003eM\u003c/em\u003e.\u003c/p\u003e","manuscriptTitle":"Impact of Transition Metals (M=Mn, Fe, Co, Ni, Cu, Zn) on the Formation of Local and Crystal Structure of MBTC Phases","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-01-17 08:09:34","doi":"10.21203/rs.3.rs-5842923/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"c46590fd-5781-4446-bdc5-2ad9a3bf82fe","owner":[],"postedDate":"January 17th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2025-01-17T08:09:35+00:00","versionOfRecord":[],"versionCreatedAt":"2025-01-17 08:09:34","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-5842923","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-5842923","identity":"rs-5842923","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}