Thermodynamics of solvent interaction with the metal-organic framework MOF-5

Zamirbek Akimbekov, Di Wu, Carl K. Brozek, Mircea Dincə, Alexandra Navrotsky

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29 Scopus citations


The inclusion of solvent in metal-organic framework (MOF) materials is a highly specific form of guest-host interaction. In this work, the energetics of solvent MOF-5 interactions has been investigated by solution calorimetry in 5 M sodium hydroxide (NaOH) at room temperature. Solution calorimetric measurement of enthalpy of formation (ΔHf) of Zn4O(C8H4O4)3·C3H7NO (MOF-5·DMF) and Zn4O(C8H4O4)3·0.60C5H11NO (MOF-5·0.60DEF) from the dense components zinc oxide (ZnO), 1,4-benzenedicarboxylic acid (H2BDC), N,N-dimethylformamide (DMF) and N,N-diethylformamide (DEF) gives values of 16.69 ± 1.21 and 45.90 ± 1.46 kJ (mol Zn4O)-1, respectively. The enthalpies of interaction (ΔHint) for DMF and DEF with MOF-5 are -82.78 ± 4.84 kJ (mol DMF)-1 and -89.28 ± 3.05 kJ (mol DEF)-1, respectively. These exothermic interaction energies suggest that, at low guest loading, Lewis base solvents interact more strongly with electron accepting Zn4O clusters in the MOF than at high solvent loading. These data provide a quantitative thermodynamic basis to investigate transmetallation and solvent assisted linker exchange (SALE) methods and to synthesize new MOFs.

Original languageEnglish (US)
Pages (from-to)1158-1162
Number of pages5
JournalPhysical Chemistry Chemical Physics
Issue number2
StatePublished - Nov 26 2015
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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