Molecular promoting of aluminum metal-organic framework topology MIL-101 by N, N-dimethylformamide

Maarten G. Goesten*, Pieter C.M.M. Magusin, Evgeny A. Pidko, Brahim Mezari, Emiel J.M. Hensen, Freek Kapteijn, Jorge Gascon

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

In situ NMR and DFT modeling demonstrate that N,N-dimethylformamide (DMF) promotes the formation of metal-organic framework NH2-MIL-101(Al). In situ NMR studies show that upon dissociation of an aluminum-coordinated aqua ligand in NH2-MOF-235(Al), DMF forms a H-Cl-DMF complex during synthesis. This reaction induces a transformation from the MOF-235 topology into the MIL-101 topology. Electronic structure density functional theory (DFT) calculations show that the use of DMF instead of water as the synthesis solvent decreases the energy gap between the kinetically favored MIL-101 and thermodynamically favored MIL-53 products. DMF therefore promotes MIL-101 topology both kinetically and thermodynamically.

Original languageEnglish (US)
Pages (from-to)882-887
Number of pages6
JournalInorganic Chemistry
Volume53
Issue number2
DOIs
StatePublished - Jan 21 2014

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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