Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework

Supramolecular interactions are fundamental to host-guest binding in chemical and biological processes. Direct visualisation of such supramolecular interactions within host-guest systems is extremely challenging but crucial for the understanding of their function. We report a comprehensive study com...

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Main Authors: Yang, Sihai, Ramirez-Cuesta, Anibal J., Newby, Ruth, Garcia-Sakai, Victoria, Manual, Pascal, Callear, Samantha K., Campbell, Stuart I., Tang, Chui C., Schröder, Martin
Format: Article
Published: Nature 2015
Online Access:https://eprints.nottingham.ac.uk/29649/
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author Yang, Sihai
Ramirez-Cuesta, Anibal J.
Newby, Ruth
Garcia-Sakai, Victoria
Manual, Pascal
Callear, Samantha K.
Campbell, Stuart I.
Tang, Chui C.
Schröder, Martin
author_facet Yang, Sihai
Ramirez-Cuesta, Anibal J.
Newby, Ruth
Garcia-Sakai, Victoria
Manual, Pascal
Callear, Samantha K.
Campbell, Stuart I.
Tang, Chui C.
Schröder, Martin
author_sort Yang, Sihai
building Nottingham Research Data Repository
collection Online Access
description Supramolecular interactions are fundamental to host-guest binding in chemical and biological processes. Direct visualisation of such supramolecular interactions within host-guest systems is extremely challenging but crucial for the understanding of their function. We report a comprehensive study combining neutron scattering with synchrotron X-ray and neutron diffraction, coupled with computational modelling, to define the detailed binding at a molecular level of acetylene, ethylene and ethane within the porous host NOTT-300. This study reveals the simultaneous and cooperative hydrogen-bonding, π···π stacking interactions and inter-molecular dipole interactions in the binding of acetylene and ethylene to give up to twelve individual weak supramolecular interactions aligned within the host to form an optimal geometry for intelligent, selective binding of hydrocarbons. We also report, for the first time, the cooperative binding of a mixture of acetylene and ethylene within the porous host together with the corresponding breakthrough experiment and analysis of mixed gas adsorption isotherms.
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spelling nottingham-296492020-05-04T20:12:11Z https://eprints.nottingham.ac.uk/29649/ Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework Yang, Sihai Ramirez-Cuesta, Anibal J. Newby, Ruth Garcia-Sakai, Victoria Manual, Pascal Callear, Samantha K. Campbell, Stuart I. Tang, Chui C. Schröder, Martin Supramolecular interactions are fundamental to host-guest binding in chemical and biological processes. Direct visualisation of such supramolecular interactions within host-guest systems is extremely challenging but crucial for the understanding of their function. We report a comprehensive study combining neutron scattering with synchrotron X-ray and neutron diffraction, coupled with computational modelling, to define the detailed binding at a molecular level of acetylene, ethylene and ethane within the porous host NOTT-300. This study reveals the simultaneous and cooperative hydrogen-bonding, π···π stacking interactions and inter-molecular dipole interactions in the binding of acetylene and ethylene to give up to twelve individual weak supramolecular interactions aligned within the host to form an optimal geometry for intelligent, selective binding of hydrocarbons. We also report, for the first time, the cooperative binding of a mixture of acetylene and ethylene within the porous host together with the corresponding breakthrough experiment and analysis of mixed gas adsorption isotherms. Nature 2015 Article PeerReviewed Yang, Sihai, Ramirez-Cuesta, Anibal J., Newby, Ruth, Garcia-Sakai, Victoria, Manual, Pascal, Callear, Samantha K., Campbell, Stuart I., Tang, Chui C. and Schröder, Martin (2015) Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework. Nature Chemistry, 7 . pp. 121-129. ISSN 1755-4330 http://www.nature.com/nchem/journal/v7/n2/full/nchem.2114.html doi:10.1038/nchem.2114 doi:10.1038/nchem.2114
spellingShingle Yang, Sihai
Ramirez-Cuesta, Anibal J.
Newby, Ruth
Garcia-Sakai, Victoria
Manual, Pascal
Callear, Samantha K.
Campbell, Stuart I.
Tang, Chui C.
Schröder, Martin
Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
title Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
title_full Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
title_fullStr Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
title_full_unstemmed Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
title_short Supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
title_sort supramolecular binding and separation of hydrocarbons within a functionalised porous metal-organic framework
url https://eprints.nottingham.ac.uk/29649/
https://eprints.nottingham.ac.uk/29649/
https://eprints.nottingham.ac.uk/29649/