Abstract
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.
Original language | English (US) |
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Pages (from-to) | 2025-2029 |
Number of pages | 5 |
Journal | ChemPhysChem |
Volume | 13 |
Issue number | 8 |
DOIs | |
State | Published - Jun 4 2012 |
Keywords
- carbon monoxide
- defects
- density functional calculations
- infrared spectroscopy
- metal-organic frameworks
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry