Journal
CHEMICAL PHYSICS
Volume 427, Issue -, Pages 30-37Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2013.05.017
Keywords
Porosity; Neutron scattering; Adsorption; Vibrational spectroscopy
Funding
- European Community [228862]
- Advantage West Midlands (AWM)
- European Regional Development Fund (ERDF)
Ask authors/readers for more resources
In situ powder X-ray diffraction and thermogravimetry show that the iron(III) carboxylate material MIL-53(Fe) expands in two steps upon exposure to methanol vapour to give a 'half open' phase and then a fully expanded structure; these correspond to the uptake of one and two molar equivalents of methanol, respectively. This knowledge allows interpretation of inelastic neutron scattering (INS) spectra, measured using TOSCA at ISIS, of the solid loaded with various amounts of water, methanol or d3-methanol (CD3OH), aided also by DFT simulation of INS spectra of the analogous MIL-53(Al) structure. The key signature of the expansion and contraction of the structure is the shift of bands in the 400 cm(-1) region: these are assigned as due to the librations of the terephthalate rings, involving motions that result in distortion of the aromatic ring and a rocking motion of the aromatic ring about the bonds to the carboxylate groups. (C) 2013 The Authors. Published by Elsevier B. V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available