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Title: New MOF based on lithium tetrahydrofuran-2,3,4,5-tetracarboxylate: Its structure and conductivity behavior

A novel metal–organic framework, [Li{sub 6}(HTFTA){sub 2}(H{sub 2}O){sub 3}]·3H{sub 2}O (LiTFTA, H{sub 4}TFTA is tetrahydrofuran-2,3,4,5-tetracarboxylic acid), has been synthesized under solvothermal conditions and its structure was determined by single-crystal X-ray diffraction studies. It has six different LiO{sub 4} tetrahedra which forms two kinds of tetranuclear clusters that are coordinated to the ligands and form an overall three-dimensional structure with channels running along the crystallographic a axis. Some of the carboxylate groups of the ligand moiety jut out into the channels and the channels are occupied by water molecules. The proton conductivity behavior of LiTFTA with respect to temperature and relative humidity was analyzed by our newly developed impedance data analysis method called a random-walk approach. The results were compared with the data obtained by an analysis using an equivalent electric circuit model. Based on the physical parameters obtained by the random-walk method and the known structure we suggested the mechanism of the proton conductivity in this material. The proton conduction proceeds most probably by a vehicle conduction mechanism which employs mainly water molecules of crystallization present in the channels of LiTFTA. The value of the diffusion coefficient increases with temperature whereas the number of charge carriers remains constant. On themore » other hand, both the number of charge carriers and diffusion coefficient increase with increasing relative humidity. - Graphical abstract: Structure of a new metal organic framework was determined and its ionic conductivity was evaluated using a random-walk approach. - Highlights: • Lithium tetrahydrofuran-2,3,4,5-tetracarboxylate is a MOF with water-filled pores. • The impedance spectra indicate that this material is ion conductive. • Conductivity was evaluated using a random walk approach. • The number of charge carriers and diffusion coefficient was determined.« less
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [2] ;  [5] ;  [2]
  1. Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovsky Sq.2, 162 06 Prague 6 (Czech Republic)
  2. Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 95, Pardubice 53210 (Czech Republic)
  3. Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China)
  4. Department of Chemistry, Chung-Yuan Christian University, Chungli 320, Taiwan (China)
  5. (Japan)
Publication Date:
OSTI Identifier:
22443398
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 217; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CRYSTALLIZATION; CRYSTALLOGRAPHY; DATA ANALYSIS; DIFFUSION; GRAPH THEORY; LIGANDS; LITHIUM; MOLECULES; MONOCRYSTALS; ORGANOMETALLIC COMPOUNDS; PROTON CONDUCTIVITY; SPECTRA; TETRAHYDROFURAN; THREE-DIMENSIONAL LATTICES; WATER; X-RAY DIFFRACTION