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Exceptional packing density of ammonia in a dual-functionalized metal–organic framework

DOI: 10.1021/jacs.1c01749 DOI Help

Authors: Christopher Marsh (University of Manchester) , Xue Han (University of Manchester) , Jiangnan Li (University of Manchester) , Zhenzhong Lu (University of Manchester) , Stephen Argent (University of Nottingham) , Ivan Da Silva (ISIS Neutron and Muon Source) , Yongqiang Cheng (Oak Ridge National Laboratory) , Luke L. Daemen (Oak Ridge National Laboratory) , Anibal J. Ramirez-Cuesta (Oak Ridge National Laboratory) , Stephen P. Thompson (Diamond Light Source) , Alexander J. Blake (University of Nottingham) , Sihai Yang (University of Manchester) , Martin Schroeder (University of Manchester)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society , VOL 361

State: Published (Approved)
Published: April 2021
Diamond Proposal Number(s): 23483 , 11622

Open Access Open Access

Abstract: We report the reversible adsorption of ammonia (NH3) up to 9.9 mmol g–1 in a robust Al-based metal–organic framework, MFM-303(Al), which is functionalized with free carboxylic acid and hydroxyl groups. The unique pore environment decorated with these acidic sites results in an exceptional packing density of NH3 at 293 K (0.801 g cm–3) comparable to that of solid NH3 at 193 K (0.817 g cm–3). In situ synchrotron X-ray diffraction and inelastic neutron scattering reveal the critical role of free −COOH and −OH groups in immobilizing NH3 molecules. Breakthrough experiments confirm the excellent performance of MFM-303(Al) for the capture of NH3 at low concentrations under both dry and wet conditions.

Journal Keywords: Isotherms; Adsorption; Crystal structure; Molecules; Diffraction

Subject Areas: Materials, Chemistry


Instruments: I11-High Resolution Powder Diffraction , I19-Small Molecule Single Crystal Diffraction

Documents:
jacs.1c01749.pdf

Discipline Tags:

Material Sciences Metallurgy Metal-Organic Frameworks Chemistry Organometallic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD) X-ray Powder Diffraction