Journal
CHEMPHYSCHEM
Volume 13, Issue 8, Pages 2025-2029Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201200222
Keywords
carbon monoxide; defects; density functional calculations; infrared spectroscopy; metal-organic frameworks
Funding
- Bulgarian Science Fund [DCVP 02/1, DCVP 02/2]
- Deutsche Forschungsgemeinschaft (DFG) [SPP 1362]
- European Research Council (ERC) [StG 56962]
- European Commission [HYPOMAP NMP3-SL-2008-233482]
- DAAD
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As indicated by nearly perfect XRD data, but challenged by a two-signal IR spectrum of CO guest molecules, it is confirmed by computer simulations and XPS experiments that the most defect-free SURMOFs contain about 4?% defective Cu sites.
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