Journal article
Lattice response of the porous coordination framework Zn(hba) to guest adsorption
Josie E Auckett, A David Dharma, Marina P Cagnes, Tamim A Darwish, Brendan F Abrahams, Ravichandar Babarao, Timothy A Hudson, Richard Robson, Keith F White, Vanessa K Peterson
Powder Diffraction | Cambridge University Press (CUP) | Published : 2017
Abstract
Analysis of in situ neutron powder diffraction data collected for the porous framework material Zn(hba) during gas adsorption reveals a two-stage response of the host lattice to increasing CO2 guest concentration, suggesting progressive occupation of multiple CO2 adsorption sites with different binding strengths. The response of the lattice to moderate CH4 guest concentrations is virtually indistinguishable from the response to CO2, demonstrating that the influence of host–guest interactions on the Zn(hba) framework is defined more strongly by the concentration than by the identity of the guests.
Grants
Awarded by Science and Industry Endowment Fund
Awarded by Australian Research Council for DECRA fellowship
Funding Acknowledgements
This research was supported by the Science and Industry Endowment Fund (RP02-035). The authors thank the sample environment team at the Australian Centre for Neutron Scattering for assistance and support with respect to the gasdelivery equipment used for the NPD experiment. The National Deuteration Facility is partly funded by the National Collaborative Research Infrastructure Strategy ( NCRIS), an initiative of the Australian government. RB acknowledges the Australian Research Council for a DECRA fellowship (DE160100987), and the National Computational Infrastructure (NCI) and Pawsey Supercomputing facility (Magnus) for providing computing support.