Deuterium NMR Studies of Framework and Guest Mobility in the metal-organic framework compound MOF-5, Zn4O(O2CC6H4CO2)3

J. Gonzalez, R. N. Devi, D. P. Tunstall, Paul Cox, P. A. Wright

Research output: Contribution to journalArticlepeer-review

Abstract

Variable temperature wideline 2H NMR investigations of the mobility of aromatic rings in the framework of desolvated samples of the metal organic framework compound MOF-5 (Zn4O(O2CC6H4CO2)3) and the closely related solid MOCP-L have been performed. The aromatic rings in MOF-5 are stationary at temperatures lower than room temperature but perform 180° (π) flips at higher temperatures until all framework aromatic groups execute this motion at 373 K. The aromatic groups in MOCP-L demonstrate a higher degree of mobility with some motion even below 170 K. 2H NMR of perdeuterobenzene adsorbed onto MOF-5 at a loading of two molecules per Zn4O13 inorganic unit shows that upon cooling below 140 K the motion of benzene changes from isotropic reorientation to rotation about its six-fold axis. Computational simulation suggests that benzene occupies a site close to the Zn4O13 unit at low temperatures.
Original languageEnglish
Pages (from-to)97–104
JournalMicroporous and Mesoporous Materials
Volume84
Issue number1-3
Early online date20 Jun 2005
DOIs
Publication statusPublished - 15 Sep 2005

Keywords

  • Microporous organic–inorganic hybrids
  • MOF-5
  • Mobility
  • Deuterium NMR

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