April 29, 2022 Dataset Open Access

Ehrling, S.; Senkovska, I.; Efimova, A.; Bon, V.; Abylgazina, L.; Petkov, P.; Evans, J. D.; Attallah, A. G.; Thomas Wharmby, M.; Roslova, M.; Huang, Z.; Tanaka, H.; Wagner, A.; Schmidt, P.; Kaskel, S.

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    "title": "Data: Temperature Driven Transformation of the Flexible Metal-Organic Framework DUT-8(Ni)", 
    "keywords": [
      "thermal response \u2022 interpenetrated MOF \u2022 thermal effect \u2022 phase transition \u2022 bond rearrangement"
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    "description": "<p>These are the raw data of &quot;Temperature Driven Transformation of the Flexible Metal-Organic Framework DUT-8(Ni)&quot;&nbsp;&nbsp;</p>\n\n<p>DUT-8(Ni) metal-organic framework belongs to the family of flexible pillared layer materials. The desolvated framework can be obtained in the open pore form (op) or in the closed pore form (cp), depending on the crystal size regime. In the present work, we report on the behaviour of desolvated DUT-8(Ni) at elevated temperatures.<br>\nFor both, op and cp variants, heating causes a structural transition, leading to an new, crystalline compound, containing two<br>\ninterpenetrated networks. The state of the framework before transition (op vs. cp) influences the transition temperature: the small particles of the op phase transform at significantly lower temperature in comparison to the macroparticles of the cp phase, transforming close to the decomposition temperature. The new compound, confined closed pore phase (ccp), was characterized by powder X-ray diffraction and spectroscopic techniques, such as IR, EXAFS, and positron annihilation lifetime spectroscopy (PALS). Thermal effects of structural cp to ccp transitions were studied using differential scanning calorimetry (DSC), showing an overall exothermic effect of the process, involving bond breaking and reformation. Theoretical calculations reveal the energetics, driving the observed temperature induced phase transition.</p>", 
    "notes": "This work was financially supported by DFG (Deutsche\nForschungsgemeinschaft) under contracts FOR 2433 and in\nproject numbers 448809307, 464857745 (AT 289/1-1 and KA\n1698/41-1) and 419941440. PP and JDE used high performance\ncomputing facilities of ZIH Dresden. The EXAFS experiments\nwere conducted at the BL11S2 of Aichi Synchrotron Radiation\nCenter, Aichi Science & Technology Foundation, Aichi, Japan\n(Proposal No. 2020D5036). We acknowledge DESY (Hamburg,\nGermany), a member of the Helmholtz Association HGF, for the\nprovision of experimental facilities. Parts of this research were\ncarried out using beamline P02.1 at PETRA III. ZH acknowledges\nthe support from the Swedish Research Council Formas (2020-\n00831). J.D.E. is supported by a Ramsay Fellowship from the\nUniversity of Adelaide.", 
    "creators": [
      {
        "name": "Ehrling, S.", 
        "affiliation": "Inorganic Chemistry I Technische Universit\u00e4t Dresden"
      }, 
      {
        "name": "Senkovska, I.", 
        "affiliation": "Inorganic Chemistry I Technische Universit\u00e4t Dresden"
      }, 
      {
        "name": "Efimova, A.", 
        "affiliation": "Inorganic Chemistry BTU Cottbus-Senftenberg"
      }, 
      {
        "name": "Bon, V.", 
        "affiliation": "Inorganic Chemistry I Technische Universit\u00e4t Dresden"
      }, 
      {
        "name": "Abylgazina, L.", 
        "affiliation": "Inorganic Chemistry I Technische Universit\u00e4t Dresden"
      }, 
      {
        "name": "Petkov, P.", 
        "affiliation": "University of Sofia, Faculty of Chemistry and Pharmacy"
      }, 
      {
        "name": "Evans, J. D.", 
        "affiliation": "The University of Adelaide Centre for Advanced Nanomaterials and Department of Chemistry"
      }, 
      {
        "orcid": "0000-0002-7759-0315", 
        "name": "Attallah, A. G.", 
        "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf"
      }, 
      {
        "name": "Thomas Wharmby, M.", 
        "affiliation": "Deutsches Elektronen-Synchrotron (DESY)"
      }, 
      {
        "name": "Roslova, M.", 
        "affiliation": "IFW Dresden"
      }, 
      {
        "name": "Huang, Z.", 
        "affiliation": "Department of Materials and Environmental Chemistry"
      }, 
      {
        "name": "Tanaka, H.", 
        "affiliation": "Research Initiative for Supra-Materials (RISM), Shinshu University"
      }, 
      {
        "name": "Wagner, A.", 
        "affiliation": "Helmholtz-Zentrum Dresden-Rossendorf"
      }, 
      {
        "name": "Schmidt, P.", 
        "affiliation": "Inorganic Chemistry BTU Cottbus-Senftenberg"
      }, 
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        "name": "Kaskel, S.", 
        "affiliation": "Inorganic Chemistry I Technische Universit\u00e4t Dresden"
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