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Observation of binding of carbon dioxide to nitro-decorated metal–organic frameworks

DOI: 10.1039/C9SC04294F DOI Help

Authors: Thien D. Duong (University of Manchester) , Sergey A. Sapchenko (University of Manchester; Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences; Novosibirsk State University) , Ivan Da Silva (ISIS Facility) , Harry G. W. Godfrey (University of Manchester) , Yongqiang Cheng (Oak Ridge National Laboratory) , Luke L. Daemen (Oak Ridge National Laboratory) , Pascal Manuel (ISIS Facility) , Mark D. Frogley (Diamond Light Source) , Gianfelice Cinque (Diamond Light Source) , Anibal J. Ramirez-Cuesta (Oak Ridge National Laboratory) , Sihai Yang (University of Manchester) , Martin Schroeder (University of Manchester)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemical Science , VOL 325

State: Published (Approved)
Published: May 2020
Diamond Proposal Number(s): 14938

Open Access Open Access

Abstract: Metal–organic frameworks (MOFs) functionalised with amine, amide and hydroxyl groups show great promise for CO2 binding due to their ability to form hydrogen bonds to CO2. Herein we report the adsorption and selectivity of CO2 in four iso-reticular MOFs adopting the NbO topology. Functionalisation of the parent MOF, MFM-102, with –NO2, –NH2 and alkyl groups leads to an enhancement of CO2 adsorption of up to 36% for the NO2-decorated MOF and with raised selectivity. MFM-102-NO2 shows the highest adsorption capacity for CO2 (184 cm3 g−1 at 273 K and 1.0 bar) within this series, comparable to the best-behaving iso-reticular MOFs. At 298 K and 1.0 bar, MFM-102-NO2 shows a CO2/CH4 selectivity of 5.0. In situ inelastic neutron scattering and synchrotron FT-IR micro-spectroscopy were employed to elucidate the host–guest interaction dynamics within CO2-loaded MFM-102-NO2. Neutron powder diffraction enabled the direct observation of the preferred binding domains in MFM-102-NO2, and, to the best of our knowledge, we report the first example of CO2 binding to a –NO2 group in a porous MOF. Synergistic effects between the –NO2 group and the open metal sites lead to optimal binding of CO2 molecules within MFM-102-NO2 via hydrogen bonding to C–H groups.

Diamond Keywords: Carbon Capture and Storage (CCS); Gas Separation

Subject Areas: Chemistry, Materials, Environment

Instruments: B22-Multimode InfraRed imaging And Microspectroscopy

Other Facilities: ISIS; Oak Ridge National Laboratory

Added On: 19/05/2020 08:49


Discipline Tags:

Earth Sciences & Environment Climate Change Chemistry Materials Science Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Spectroscopy Infrared Spectroscopy Synchtron-based Fourier Transform Infrared Spectroscopy (SR-FTIR)