{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T18:49:44Z","timestamp":1792003784139,"version":"4.4.0"},"reference-count":52,"publisher":"American Chemical Society (ACS)","issue":"40","license":[{"start":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T00:00:00Z","timestamp":1790726400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000089","name":"Office of International Science and Engineering","doi-asserted-by":"publisher","award":["2420126"],"award-info":[{"award-number":["2420126"]}],"id":[{"id":"10.13039\/100000089","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000165","name":"Division of Chemistry","doi-asserted-by":"publisher","award":["2431337"],"award-info":[{"award-number":["2431337"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100008091","name":"University of Rochester","doi-asserted-by":"publisher","award":["NA"],"award-info":[{"award-number":["NA"]}],"id":[{"id":"10.13039\/100008091","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/na","name":"Universit? Degli Studi di Modena e Reggio Emila","doi-asserted-by":"publisher","award":["FAR2025PD"],"award-info":[{"award-number":["FAR2025PD"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,14]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Molecular flexibility encoded in low-frequency lattice dynamics is increasingly recognized as a key determinant of the properties of porous materials, particularly metal\u2013organic frameworks, but remains largely unexplored in covalent organic frameworks (COFs). Here, we establish a structure\u2013dynamics\u2013property relationship for chemically related COFs by combining three-dimensional electron diffraction, low-frequency vibrational spectroscopy, and first-principles calculations. Using 3D electron diffraction, we determined the crystal structure of the collapsed reduced framework COF-300-AR, revealing a bent linker conformation. Terahertz and low-frequency Raman spectroscopy, together with solid-state density functional theory and local mode analysis, resolve the lattice dynamics of contracted COF-300-H2O, COF-320A, and collapsed COF-300-AR and quantify linker flexibility through imine\/amine torsions. Normal-mode decomposition and torsional potential energy surfaces show that these coordinates are comparatively stiff in the imine-based frameworks, preserving near-planar linker conformations that support guest-responsive structures. In contrast, COF-300-AR exhibits a shallower, multiwell torsional potential that enables bent linker conformations, favoring collapsed packing. Gas-phase local-mode analysis reproduces this relative trend in torsional softness, suggesting that linker flexibility can be screened before a crystal structure is available. The negligible gas uptake of COF-300-AR is therefore linked to the coupling of local amine flexibility with packing constraints in the interpenetrated framework. More broadly, these results demonstrate how low-frequency dynamics can identify molecular coordinates governing the structural integrity and porosity in flexible COFs.<\/jats:p>","DOI":"10.1021\/jacs.6c14616","type":"journal-article","created":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T18:02:27Z","timestamp":1790791347000},"page":"43682-43690","source":"Crossref","is-referenced-by-count":0,"title":["Structure\u2212Dynamics\u2212Property\nRelationship\nReveals the Origin of Porous Integrity in Imine-Linked Covalent Organic\nFrameworks"],"prefix":"10.1021","volume":"148","author":[{"given":"William B.","family":"Stoll","sequence":"first","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Johanna","family":"Ko\u0308lbel","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3001-9426","authenticated-orcid":true,"given":"Alonso","family":"Acosta Vera","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sameeha","family":"Sultana","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-9357-0163","authenticated-orcid":true,"given":"William","family":"Archacki","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]},{"name":"Yale University , , , ,","place":["New Haven, Connecticut, United States, 06511"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khai-Nghi","family":"Truong","sequence":"additional","affiliation":[{"name":"Rigaku Europe SE , Hugenottenallee 167 , ,","place":["Neu-Isenburg, Germany, 63263"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Irin E.","family":"Aby","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3113-7347","authenticated-orcid":true,"given":"Brandon R.","family":"Barnett","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1003-6512","authenticated-orcid":true,"given":"Luca","family":"Catalano","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]},{"name":"University of Modena and Reggio Emilia , , ,","place":["Modena, Italy, 41125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9378-4454","authenticated-orcid":true,"given":"Agnes E.","family":"Thorarinsdottir","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1848-2565","authenticated-orcid":true,"given":"Michael T.","family":"Ruggiero","sequence":"additional","affiliation":[{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]},{"name":"University of Rochester , , , ,","place":["Rochester, New York, United States, 14627"]},{"name":"University of Strathclyde , , ,","place":["Glasgow, U.K., G4 0RE"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,30]]},"reference":[{"key":"2026101414094153800_cit1","doi-asserted-by":"publisher","first-page":"2231","DOI":"10.1007\/s00018-009-0014-6","article-title":"Functional\nAspects of Protein Flexibility","volume":"66","author":"Teilum","year":"2009","journal-title":"Cell. 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Commun."},{"key":"2026101414094153800_cit27","doi-asserted-by":"publisher","first-page":"636","DOI":"10.1038\/s41563-023-01523-2","article-title":"Covalent Organic Framework\nAtropisomers with Multiple Gas-Triggered Structural Flexibilities","volume":"22","author":"Kang","year":"2023","journal-title":"Nat. Mater."},{"issue":"5","key":"2026101414094153800_cit28","doi-asserted-by":"publisher","first-page":"e2320237121","DOI":"10.1073\/pnas.2320237121","article-title":"Atomic\nObservation\nand Structural Evolution of Covalent Organic Framework Rotamers","volume":"121","author":"Zeng","year":"2024","journal-title":"Proc. Natl. Acad. Sci. U. S. 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Growth\nDes."},{"key":"2026101414094153800_cit46","doi-asserted-by":"publisher","first-page":"3781","DOI":"10.1039\/C7CC00509A","article-title":"Intermolecular Anharmonicity in Molecular\nCrystals: Interplay Between Experimental Low-Frequency Dynamics and\nQuantum Quasi-Harmonic Simulations of Solid Purine","volume":"53","author":"Ruggiero","year":"2017","journal-title":"Chem. Commun."},{"key":"2026101414094153800_cit47","doi-asserted-by":"publisher","first-page":"12169","DOI":"10.1039\/D4CC03307H","article-title":"Fundamentally Intertwined: Anharmonic Intermolecular\nInteractions Dictate both Thermal Expansion and Terahertz Lattice\nDynamics in Molecular Crystals","volume":"60","author":"Juneja","year":"2024","journal-title":"Chem. Commun."},{"key":"2026101414094153800_cit48","doi-asserted-by":"publisher","first-page":"156","DOI":"10.1016\/j.ejps.2009.06.007","article-title":"Using the\nLow-Frequency Raman Spectroscopy to Analyze the Crystallization of\nAmorphous Indomethacin","volume":"38","author":"He\u0301doux","year":"2009","journal-title":"Eur. J. Pharm. Sci."},{"key":"2026101414094153800_cit49","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1480","article-title":"Decoding Chemical\nInformation from Vibrational Spectroscopy\nData: Local Vibrational Mode Theory","volume":"10","author":"Kraka","year":"2020","journal-title":"Wiley Interdiscip.\nRev. Comput. Mol. Sci."},{"key":"2026101414094153800_cit50","doi-asserted-by":"publisher","first-page":"1130","DOI":"10.1002\/jcc.27311","article-title":"Chemical Bonding\nin Uranium-Based Materials: A Local Vibrational Mode Case Study of\nCs2UO2Cl4 and UCl4 Crystals","volume":"45","author":"Bodo","year":"2024","journal-title":"J. Comput. 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