Post-synthesis amine borane functionalization of metal-organic framework and its unusual chemical hydrogen release phenomenon

Heinz Berke, Samir Barman, Arndt Remhof, Ralph Koitz, Marcella Iannuzzi, Olivier Blacque, Yigang Yan, Thomas Fox, Jürg Hutter, Andreas Züttel

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

We report a novel strategy for post-synthesis amine borane functionalization of MOFs under gas-solid phase transformation utilizing gaseous diborane. The covalently confined amine borane derivative decorated on the framework backbone is stable when preserved at low temperature, but spontaneously liberates soft chemical hydrogen at room temperature leading to the development of an unusual borenium type species (-NH=BH2+) ion-paired with hydroborate anion. Furthermore, the unsaturated amino borane (-NH=BH2) and the -iminodiborane ((--NHB2H5) were detected as final products. A combination of DFT based molecular dynamics simulations and solid state NMR spectroscopy, utilizing isotopically enriched materials, were undertaken to unequivocally elucidate the mechanistic pathways for H2 liberation.
Original languageEnglish (US)
Pages (from-to)8823-8828
Number of pages6
JournalChemistry - A European Journal
Volume23
Issue number37
DOIs
StatePublished - Jun 13 2017

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