{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,7]],"date-time":"2026-10-07T13:54:06Z","timestamp":1791381246386,"version":"4.3.3"},"reference-count":37,"publisher":"American Chemical Society (ACS)","issue":"5","license":[{"start":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T00:00:00Z","timestamp":1785801600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["CRC 1573"],"award-info":[{"award-number":["CRC 1573"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003246","name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","doi-asserted-by":"publisher","award":["VI.C. 192.044"],"award-info":[{"award-number":["VI.C. 192.044"]}],"id":[{"id":"10.13039\/501100003246","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,7]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Rare-earth metal triflates can modulate the structure, redox properties, and reactivity of transition-metal complexes when confined in supramolecular hosts. In this paper, we have investigated the inclusion of rare-earth metal triflates (Ln(OTf)3, Ln = Dy, Yb, La, Lu) into a cobalt(II) hemicryptophane tren cage (CoCageHCPT) using high-resolution electrospray ionization mass spectrometry (ESI-MS), cyclic traveling wave ion mobility mass spectrometry (cIM-TWIMS), host\u2013guest exchange experiments, and examined the electrochemical properties using cyclic voltammetry. ESI-MS reveals the formation of dicationic inclusion complexes [CoII(CageHCPT)(Ln(OTf)3)]2+ with additional solvated adducts. Ion mobility measurements revealed the conformational flexibility of the empty cage complex, showing a broad distribution of isomers. In contrast, guest encapsulation yields defined geometries with only two dominant isomers, each with similar abundance and a close collisional cross-section in the range of 371\u2013374 \u00c52. The DFT calculations revealed that the cap of the cage creates an attractive pocket for the lanthanum ion, while the side openings of the cage accommodate the coordinated triflate ions. In addition, one triflate anion is bridging, anchoring La(OTf)3 to the cobalt center. This rigid structure leads to the formation of two diastereoisomers of the inclusion complex, corresponding to the experimentally detected isomers. Equilibration experiments demonstrated fast host\u2013guest exchange kinetics (kMS \u2265 0.5 s\u20131), indicating dynamic binding of Ln(OTf)3 within the cage cavity. Furthermore, cyclic voltammetry studies showed anodic shifts of the CoII\/I (0.6 V) and CoI\/0 (0.5 V) reduction waves upon Dy(OTf)3 inclusion, indicating strong Lewis-acid effects on the cobalt center. Overall, the combined results reveal that lanthanoid triflates form dynamic yet structurally defined inclusion complexes that substantially tune the redox properties of the cobalt cage system.<\/jats:p>","DOI":"10.1021\/acsorginorgau.6c00049","type":"journal-article","created":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T01:02:00Z","timestamp":1785891720000},"page":"616-623","source":"Crossref","is-referenced-by-count":0,"title":["Rare-Earth\nMetal Triflates Inclusion Complexes with\nCobalt(II) Hemicryptophane Tren Cage"],"prefix":"10.1021","volume":"6","author":[{"given":"Deeksha","family":"Setia","sequence":"first","affiliation":[{"name":"Radboud University Nijmegen , , Heyendaalseweg 135 , ,","place":["Nijmegen, The Netherlands, 6525 AJ"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7006-6759","authenticated-orcid":true,"given":"Patrick","family":"Weis","sequence":"additional","affiliation":[{"name":"Karlsruher Institut fu\u0308r Technologie (KIT) , , Fritz-Haber-Weg 2 , ,","place":["Karlsruhe, Germany, 76131"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1199-1730","authenticated-orcid":true,"given":"Manfred","family":"Kappes","sequence":"additional","affiliation":[{"name":"Karlsruher Institut fu\u0308r Technologie (KIT) , , Fritz-Haber-Weg 2 , ,","place":["Karlsruhe, Germany, 76131"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5144-0688","authenticated-orcid":true,"given":"Jana","family":"Roithova\u0301","sequence":"additional","affiliation":[{"name":"Radboud University Nijmegen , , Heyendaalseweg 135 , ,","place":["Nijmegen, The Netherlands, 6525 AJ"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,4]]},"reference":[{"issue":"6","key":"2026100709062906300_cit1","doi-asserted-by":"publisher","first-page":"757","DOI":"10.1134\/S1066362222060133","article-title":"Preparation and Characterization\nof Holmium\u20132-Hydroxypropyl \u03b2-Cyclodextrin Inclusion Complex\nand Its Stability under Gamma Radiation","volume":"64","author":"Lo\u0301pez-Gonza\u0301lez","year":"2022","journal-title":"Radiochemistry"},{"issue":"19","key":"2026100709062906300_cit2","doi-asserted-by":"publisher","first-page":"3609","DOI":"10.1002\/1521-3773(20021004)41:19&lt;3609::aid-anie3609&gt;3.0.co;2-#","article-title":"An Inclusion\nComplex with [Gd(Dmf)8]3+\nIons Encapsulated in Pockets of an Anionic Array of [{Cu6(CN)9}3\u2013]\u221e Units;\nA Cyanide-Bridged Cu\u2013Gd Layer Structure","volume":"41","author":"Liu","year":"2002","journal-title":"Angew. 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B"},{"issue":"18","key":"2026100709062906300_cit33","doi-asserted-by":"publisher","first-page":"3297","DOI":"10.1039\/b508541a","article-title":"Balanced Basis Sets of Split Valence,\nTriple Zeta Valence\nand Quadruple Zeta Valence Quality for H to Rn: Design and Assessment\nof Accuracy","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"1","key":"2026100709062906300_cit34","doi-asserted-by":"publisher","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: Visual\nMolecular Dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graph."},{"key":"2026100709062906300_cit35","unstructured":"Setia, D.\n          \n          Cages and Guests:\nMechanistic Insights on Confinement Effects in Small Molecule Activation. Ph.D Thesis Dissertation, Radboud University Nijmegen: The Netherlands, 2026. https:\/\/repository.ubn.ru.nl\/handle\/2066\/326875."},{"issue":"5","key":"2026100709062906300_cit36","doi-asserted-by":"publisher","first-page":"4308","DOI":"10.1021\/jacs.4c14525","article-title":"Probing London\nDispersion in Proton-Bound Onium Ions: Are Alkyl\u2013Alkyl Steric\nInteractions Reliably Modeled?","volume":"147","author":"Gorbachev","year":"2025","journal-title":"J. Am. Chem.\nSoc."},{"key":"2026100709062906300_cit37","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202502745","article-title":"London Dispersion versus\nIntramolecular Hydrogen Bond in Bis-Pyridines: How Accurate Is DFT\nfor Competing Noncovalent Interactions in the Condensed Phase?","volume":"31","author":"Savoy","year":"2025","journal-title":"Chem\u2500Eur. 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