{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Lutton-Gething ARBJ"],"funding":["University of Manchester","Kementerian Keuangan Republik Indonesia","Engineering and Physical Sciences Research Council"],"pagination":["22315-22322"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11577313"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["63(46)"],"pubmed_abstract":["Rare-earth metal-organic frameworks (RE-MOFs) formed in the presence of fluoride donors are a group of complex and applicable MOFs. Determining structural complexity is crucial in applying such MOFs and has been achieved to uncover framework disorders in the important <i>fcu</i> framework topology MOF, Y-ndc-<i>fcu</i>-MOF (<b>1</b>). <b>1</b> is found to contain F<sup>-</sup> groups disordered over the μ<sub>3</sub>-face-capping sites in its secondary building unit (SBU) and framework distortions upon sorption of different guest molecules. The favored location of the guests is within the octahedral cage of <b>1</b> where they interact with the Y<sup>3+</sup> centers. The size, shape, and interactions of the different guests lead to subtle distortions within the SBU and adoption of specific orientations of the naphthalene group of the 1,4-naphthalenedicarboxylate framework linkers. The sorption of DMF<sub>(l)</sub>/H<sub>2</sub>O<sub>(l)</sub> lowers the symmetry from cubic <i>Fm</i>3̅<i>m</i> (for MeOH<sub>(l)</sub>, N<sub>2(g)</sub>, CO<sub>2(g or l)</sub>) to cubic <i>Pa</i>3̅ (for DMF<sub>(l)</sub>/H<sub>2</sub>O<sub>(l)</sub>) symmetry with retention of the <i>fcu</i> topology, and conversion between the <i>Pa</i>3̅ and <i>Fm</i>3̅<i>m</i> structures is induced by solvent exchange. Such disorder and sorption locations and transformation are important considerations during the optimization and application of MOFs for sorption-based technologies."],"journal":["Inorganic chemistry"],"pubmed_title":["Revealing Disorder, Sorption Locations and a Sorption-Induced Single Crystal-Single Crystal Transformation in a Rare-Earth &lt;i&gt;fcu&lt;/i&gt;-Type Metal-Organic Framework."],"pmcid":["PMC11577313"],"funding_grant_id":["EP/R513131/1","EP/R00661X/1","EP/P025498/1","EP/P025021/1"],"pubmed_authors":["Whitehead GFS","Attfield MP","Vitorica-Yrezabal IJ","Pambudi FI","Lutton-Gething ARBJ","Spencer BF","Lee D"],"additional_accession":[]},"is_claimable":false,"name":"Revealing Disorder, Sorption Locations and a Sorption-Induced Single Crystal-Single Crystal Transformation in a Rare-Earth &lt;i&gt;fcu&lt;/i&gt;-Type Metal-Organic Framework.","description":"Rare-earth metal-organic frameworks (RE-MOFs) formed in the presence of fluoride donors are a group of complex and applicable MOFs. Determining structural complexity is crucial in applying such MOFs and has been achieved to uncover framework disorders in the important <i>fcu</i> framework topology MOF, Y-ndc-<i>fcu</i>-MOF (<b>1</b>). <b>1</b> is found to contain F<sup>-</sup> groups disordered over the μ<sub>3</sub>-face-capping sites in its secondary building unit (SBU) and framework distortions upon sorption of different guest molecules. The favored location of the guests is within the octahedral cage of <b>1</b> where they interact with the Y<sup>3+</sup> centers. The size, shape, and interactions of the different guests lead to subtle distortions within the SBU and adoption of specific orientations of the naphthalene group of the 1,4-naphthalenedicarboxylate framework linkers. The sorption of DMF<sub>(l)</sub>/H<sub>2</sub>O<sub>(l)</sub> lowers the symmetry from cubic <i>Fm</i>3̅<i>m</i> (for MeOH<sub>(l)</sub>, N<sub>2(g)</sub>, CO<sub>2(g or l)</sub>) to cubic <i>Pa</i>3̅ (for DMF<sub>(l)</sub>/H<sub>2</sub>O<sub>(l)</sub>) symmetry with retention of the <i>fcu</i> topology, and conversion between the <i>Pa</i>3̅ and <i>Fm</i>3̅<i>m</i> structures is induced by solvent exchange. Such disorder and sorption locations and transformation are important considerations during the optimization and application of MOFs for sorption-based technologies.","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Nov","modification":"2025-04-18T17:08:04.257Z","creation":"2025-04-07T04:41:44.108Z"},"accession":"S-EPMC11577313","cross_references":{"pubmed":["39494500"],"doi":["10.1021/acs.inorgchem.4c04286"]}}