Quasi‐Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL‐47(V) and MIL‐53(Cr)

Channel tunnel: Diffusion of methane in the metal–organic frameworks MIL-53(Cr) and MIL-47(V) was elucidated by quasi-elastic neutron scattering and molecular dynamics simulation, and 1D diffusion of CH4 along the channels was found in both materials. The self-diffusivity of methane at low loading is very large, more than one order of magnitude higher than in zeolites. The picture shows CH4 molecules in a MIL-53(Cr) channel. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2008/z801748_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.