期刊
INORGANIC CHEMISTRY
卷 52, 期 1, 页码 113-120出版社
AMER CHEMICAL SOC
DOI: 10.1021/ic301338a
关键词
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资金
- Ghent University BOF [01P02911T, 01D31608]
- GOA [01G00710]
- Long Term Structural Methusalem Grant [01M00409]
- BELSPO [IAP 6/27]
- European Research Council [240483]
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 N-2 adsorption/desorption isotherms measured at 77 K demonstrate that the existence of the mixed oxidation states V-III/V-IV in the titled MOF structure compared to pure V-IV increases the difficulty in triggering the flexibility of the framework.
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