Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework Description An account of the resource Quantum tunneling rotors in a zeolitic imidazolate framework ZIF-8 can provide insights into local gas adsorption sites and local dynamics of porous structure, which are inaccessible to standard physisorption or x-ray diffraction sensitive primarily to long-range order. Using in situ high-resolution inelastic neutron scattering at 3 K, we follow the evolution of methyl tunneling with respect to the number of dosed gas molecules. While nitrogen adsorption decreases the energy of the tunneling peak, and ultimately hinders it completely (0.33 meV to zero), argon substantially increases the energy to 0.42 meV. Ab initio calculations of the rotational barrier of ZIF-8 show an exception to the reported adsorption sites hierarchy, resulting in anomalous adsorption behavior and linker dynamics at subatmospheric pressure. The findings reveal quantum tunneling rotors in metal-organic frameworks as a sensitive atomistic probe of local physicochemical phenomena. 2023 authors. Published by the American Physical Society. Creator An entity primarily responsible for making the resource Titov K.; Ryder M.R.; Lamaire A.; Zeng Z.; Chaudhari A.K.; Taylor J.; Mahdi E.M.; Rogge S.M.J.; Mukhopadhyay S.; Rudi? S.; Van Speybroeck V.; Fernandez-Alonso F.; Tan J.-C. Source A related resource from which the described resource is derived Physical Review Materials, Vol-7, No. 7 Publisher An entity responsible for making the resource available American Physical Society Date A point or period of time associated with an event in the lifecycle of the resource 2023-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1103/PhysRevMaterials.7.073402" target="_blank" rel="noreferrer noopener">https://doi.org/10.1103/PhysRevMaterials.7.073402</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85166739284&amp;doi=10.1103%2FPhysRevMaterials.7.073402&amp;partnerID=40&amp;md5=26f08c2fe2a60f2a61e59077272d78a9" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85166739284&amp;doi=10.1103%2fPhysRevMaterials.7.073402&amp;partnerID=40&amp;md5=26f08c2fe2a60f2a61e59077272d78a9</a> Rights Information about rights held in and over the resource All Open Access; Green Open Access; Hybrid Gold Open Access Relation A related resource ISSN: 24759953 Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Titov K., Multifunctional Materials &amp; Composites (MMC) Laboratory, Department of Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom; Ryder M.R., Multifunctional Materials &amp; Composites (MMC) Laboratory, Department of Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom, ISIS Neutron and Muon Source, Science and Technology Facility Council, UKRI, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, United Kingdom, Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, 37831, TN, United States; Lamaire A., Center for Molecular Modeling (CMM), Ghent University, Technologiepark-Zwijnaarde 46, Zwijnaarde, 9052, Belgium; Zeng Z., Multifunctional Materials &amp; Composites (MMC) Laboratory, Department of Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom; Chaudhari A.K., Multifunctional Materials &amp; Composites (MMC) Laboratory, Department of Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom, Department of Chemistry, Christ University, Hosur Road, Bangalore, 560029, India; Taylor J., ISIS Neutron and Muon Source, Science and Technology Facility Council, UKRI, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, United Kingdom; Mahdi E.M., Multifunctional Materials &amp; Composites (MMC) Laboratory, Department of Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom; Rogge S.M.J., Center for Molecular Modeling (CMM), Ghent University, Technologiepark-Zwijnaarde 46, Zwijnaarde, 9052, Belgium; Mukhopadhyay S., ISIS Neutron and Muon Source, Science and Technology Facility Council, UKRI, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, United Kingdom; Rudi? S., ISIS Neutron and Muon Source, Science and Technology Facility Council, UKRI, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, United Kingdom; Van Speybroeck V., Center for Molecular Modeling (CMM), Ghent University, Technologiepark-Zwijnaarde 46, Zwijnaarde, 9052, Belgium; Fernandez-Alonso F., Materials Physics Center, CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, Donostia - San Sebastian, 20018, Spain, Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, Donostia - San Sebastian, 20018, Spain, Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, United Kingdom, IKERBASQUE, Basque Foundation for Science, Plaza Euskadi 5, Bilbao, 48009, Spain; Tan J.-C., Multifunctional Materials &amp; Composites (MMC) Laboratory, Department of Engineering Science, University of Oxford, Parks Road, Oxford, OX1 3PJ, United Kingdom