New VIV-based metal-organic framework having framework flexibility and high CO2 adsorption capacity

Ying Ya Liu, Sarah Couck, Matthias Vandichel, MacIej Grzywa, Karen Leus, Shyam Biswas, Dirk Volkmer, Jorge Gascon, Freek Kapteijn, Joeri F.M. Denayer, Michel Waroquier, Veronique Van Speybroeck, Pascal Van Der Voort*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

68 Scopus citations


A vanadium based metal-organic framework (MOF), VO(BPDC) (BPDC2- = biphenyl-4,4′-dicarboxylate), adopting an expanded MIL-47 structure type, has been synthesized via solvothermal and microwave methods. Its structural and gas/vapor sorption properties have been studied. This compound displays a distinct breathing effect toward certain adsorptives at workable temperatures. The sorption isotherms of CO2 and CH4 indicate a different sorption behavior at specific temperatures. In situ synchrotron X-ray powder diffraction measurements and molecular simulations have been utilized to characterize the structural transition. The experimental measurements clearly suggest the existence of both narrow pore and large pore forms. A free energy profile along the pore angle was computationally determined for the empty host framework. Apart from a regular large pore and a regular narrow pore form, an overstretched narrow pore form has also been found. Additionally, a variety of spectroscopic techniques combined with N2 adsorption/desorption isotherms measured at 77 K demonstrate that the existence of the mixed oxidation states VIII/VIV in the titled MOF structure compared to pure VIV increases the difficulty in triggering the flexibility of the framework.

Original languageEnglish (US)
Pages (from-to)113-120
Number of pages8
JournalInorganic chemistry
Issue number1
StatePublished - Jan 7 2013
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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