A Molecular Model for the Ge(100) Buckled Dimer

A Molecular Model for the Ge(100) Buckled Dimer | 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 Physical Sciences - Article A Molecular Model for the Ge(100) Buckled Dimer Lutz Greb, Paul Janßen, Eva Roesky, Hannah Szabo, Fabian Ebner This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8028340/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted You are reading this latest preprint version Abstract Silicon and germanium (100) surfaces underpin modern semiconductor technologies, yet their atomic-scale reactivity remains difficult to access experimentally due to the need for sophisticated surface analytical techniques. Their defining structural element, the buckled dimer (BD), comprises a Lewis-acidic "down" atom and a Lewis-basic "up" atom, but a faithful molecular analogue has remained elusive. Here we report a dinuclear Ge(II) complex supported by a calix[4]pyrrolato ligand that enforces a rigid cis-bent geometry closely mirroring the Ge(100) BD. Single-crystal X-ray diffraction and solution-phase reactivity studies reveal distinct surface-like behaviour—including Lewis base coordination, chalcogen binding, and selective [2+2] alkyne cycloaddition—while diverging sharply from the reactivity of conventional, unconstrained digermenes. Quantitative scaling of Lewis acidity and basicity positions the two Ge centres among the strongest molecular Lewis acids and bases, providing the first numerical benchmark for Ge(100) ambiphilicity and highlighting an overlooked aspect of semiconductor surface chemistry. The observed substrate selectivities are rationalized by the rigid BD geometry, offering new molecular-level perspectives on Ge(100) surface passivation and functionalization. Together, these findings demonstrate how structural constraint can translate the elusive chemistry of solid–vacuum interfaces into isolable, quantifiable molecular systems. Physical sciences/Chemistry/Inorganic chemistry/Organometallic chemistry Physical sciences/Chemistry/Inorganic chemistry/Chemical bonding Physical sciences/Chemistry/Surface chemistry Full Text Additional Declarations There is NO Competing Interest. Supplementary Files SIbuckleddimer.pdf Supporting Information Cite Share Download PDF Status: Under Review 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. 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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-8028340","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Physical Sciences - Article","associatedPublications":[],"authors":[{"id":542664859,"identity":"e670adc4-a723-470b-8aae-de156f18033a","order_by":0,"name":"Lutz 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Their defining structural element, the buckled dimer (BD), comprises a Lewis-acidic \"down\" atom and a Lewis-basic \"up\" atom, but a faithful molecular analogue has remained elusive. Here we report a dinuclear Ge(II) complex supported by a calix[4]pyrrolato ligand that enforces a rigid cis-bent geometry closely mirroring the Ge(100) BD. Single-crystal X-ray diffraction and solution-phase reactivity studies reveal distinct surface-like behaviour—including Lewis base coordination, chalcogen binding, and selective [2+2] alkyne cycloaddition—while diverging sharply from the reactivity of conventional, unconstrained digermenes. Quantitative scaling of Lewis acidity and basicity positions the two Ge centres among the strongest molecular Lewis acids and bases, providing the first numerical benchmark for Ge(100) ambiphilicity and highlighting an overlooked aspect of semiconductor surface chemistry. The observed substrate selectivities are rationalized by the rigid BD geometry, offering new molecular-level perspectives on Ge(100) surface passivation and functionalization. Together, these findings demonstrate how structural constraint can translate the elusive chemistry of solid–vacuum interfaces into isolable, quantifiable molecular systems.","manuscriptTitle":"A Molecular Model for the Ge(100) Buckled Dimer","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2026-01-19 05:12:13","doi":"10.21203/rs.3.rs-8028340/v1","editorialEvents":[],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"nature-chemistry","isNatureJournal":true,"hasQc":false,"allowDirectSubmit":false,"externalIdentity":"nchem","sideBox":"Learn more about [Nature Chemistry](http://www.nature.com/nchem/)","snPcode":"","submissionUrl":"","title":"Nature Chemistry","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"ejp","reportingPortfolio":"Nature Research","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"02603295-7bfa-46a7-b36a-e9c297c00e58","owner":[],"postedDate":"January 19th, 2026","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"under-review","subjectAreas":[{"id":57728593,"name":"Physical sciences/Chemistry/Inorganic chemistry/Organometallic chemistry"},{"id":57728594,"name":"Physical sciences/Chemistry/Inorganic chemistry/Chemical bonding"},{"id":57728595,"name":"Physical sciences/Chemistry/Surface chemistry"}],"tags":[],"updatedAt":"2026-01-19T05:12:13+00:00","versionOfRecord":[],"versionCreatedAt":"2026-01-19 05:12:13","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-8028340","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-8028340","identity":"rs-8028340","version":["v1"]},"buildId":"XKTyCvWXoU3ODBz1xrDgd","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}