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Host–guest adsorption behavior of deuterated methane and molecular oxygen in a porous rare-earth metal–organic framework

Published online by Cambridge University Press:  17 November 2014

Stephen H. Ogilvie ,
Samuel G. Duyker ,
Peter D. Southon ,
Vanessa K. Peterson  and
Cameron J. Kepert
Stephen H. Ogilvie
Affiliation:
School of Chemistry, The University of Sydney, NSW 2006, Australia
Samuel G. Duyker
Affiliation:
Australian Nuclear Science and Technology Organisation, NSW, Australia
Peter D. Southon
Affiliation:
School of Chemistry, The University of Sydney, NSW 2006, Australia
Vanessa K. Peterson
Affiliation:
Australian Nuclear Science and Technology Organisation, NSW, Australia
Cameron J. Kepert*
Affiliation:
School of Chemistry, The University of Sydney, NSW 2006, Australia
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

The yttrium-based metal–organic framework, Y(btc) (btc = 1,3,5-benzenetricarboxylate), shows moderate uptake of methane (0.623 mmol g−1) and molecular oxygen (0.183 mmol g−1) at 1 bar and 308 K. Neutron powder-diffraction data for the guest-free, CD4-, and O2-loaded framework reveal multiple adsorption sites for each gas. Both molecular guests exhibit interactions with the host framework characterised by distances between the framework and guest atoms that range from 2.83 to 4.81 Å, with these distances identifying interaction most commonly between the guest molecule and the carboxylate functional groups of the benzenetricarboxylate bridging ligand of the host.

Keywords

adsorptionmetal–organic frameworksneutron powder diffractionadsorption behaviour
Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue S1 , December 2014 , pp. S96 - S101
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Copyright
Copyright © International Centre for Diffraction Data 2014 

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