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Instruments / Technical Area	Publication Details	Published	Actions
I19-Small Molecule Single Crystal Diffraction	Analysis of a Cu-doped metal–organic framework, MFM-520(Zn1-xCux), for NO2 adsorption Zi Wang , Alena M. Sheveleva , Jiangnan Li , Zhengyang Zhou , Sergei Sapchenko , George Whitehead , Mark R. Warren , David Collison , Junliang Sun , Martin Schroeder , Eric J. L. Mcinnes , Sihai Yang , Floriana Tuna Advanced Science 205 DOI: 10.1002/advs.202305542 Diamond Proposal Number(s): [31627] Open Access Show Abstract ▼ Abstract: MFM-520(Zn) confines dimers of NO2 with a high adsorption of 4.52 mmol g−1 at 1 bar at 298 K. The synthesis and the incommensurate structure of Cu-doped MFM-520(Zn) are reported. The introduction of paramagnetic Cu2+ sites allows investigation of the electronic and geometric structure of metal site by in situ electron paramagnetic resonance (EPR) spectroscopy upon adsorption of NO2. By combining continuous wave and electron-nuclear double resonance spectroscopy, an unusual reverse Berry distorted coordination geometry of the Cu2+ centers is observed. Interestingly, Cu-doped MFM-520(Zn0.95Cu0.05) shows enhanced adsorption of NO2 of 5.02 mmol g−1 at 1 bar at 298 K. Whereas MFM-520(Zn) confines adsorbed NO2 as N2O4, the presence of monomeric NO2 at low temperature suggests that doping with Cu2+ centers into the framework plays an important role in tuning the dimerization of NO2 molecules in the pore via the formation of specific host-guest interactions.	Nov 2023

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