title: Elucidation of Adsorbate Structures and Interactions on Brønsted Acid Sites in H-ZSM-5 by Synchrotron X-ray Powder Diffraction.
abstract: Microporous H-ZSM-5 containing one Brønsted acid site per asymmetric unit is deliberately chosen to host pyridine, methanol, and ammonia as guest molecules. By using new-generation in situ synchrotron X-ray powder diffraction combined with Rietveld refinement, the slight but significant alteration in scattering parameters of framework atoms modified by the guest molecules enables the user to elucidate their adsorption geometries and interactions with the Brønsted acid sites in H-ZSM-5 in terms of atomic distances and angles within experimental errors. The conclusion, although demonstrated in the H-ZSM-5, is expected to be transferable to other zeolites. This approach provides a stepping stone towards the rational engineering of molecular interaction(s) with acid sites in zeolitic catalysis.
authors.affiliation: Wolfson Catalysis Centre, Department of Chemistry, University of Oxford, Oxford, OX1 3QR, UK.
authors.forename: Benedict T W
authors.initials: BT
authors.lastname: Lo
authors.affiliation: Wolfson Catalysis Centre, Department of Chemistry, University of Oxford, Oxford, OX1 3QR, UK.
authors.forename: Lin
authors.initials: L
authors.lastname: Ye
authors.affiliation: Wolfson Catalysis Centre, Department of Chemistry, University of Oxford, Oxford, OX1 3QR, UK.
authors.forename: Jin
authors.initials: J
authors.lastname: Qu
authors.affiliation: College of Chemistry and Molecular Engineering, Peking University, 100871, Beijing, China.
authors.forename: Junliang
authors.initials: J
authors.lastname: Sun
authors.affiliation: Shanghai Research Institute of Petrochemical Technology SRIPT-SINOPEC, Shanghai, 201208, China.
authors.forename: Junlin
authors.initials: J
authors.lastname: Zheng
authors.affiliation: Shanghai Research Institute of Petrochemical Technology SRIPT-SINOPEC, Shanghai, 201208, China.
authors.forename: Dejing
authors.initials: D
authors.lastname: Kong
authors.affiliation: Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, UK.
authors.forename: Claire A
authors.initials: CA
authors.lastname: Murray
authors.affiliation: Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, UK.
authors.forename: Chiu C
authors.initials: CC
authors.lastname: Tang
authors.affiliation: Wolfson Catalysis Centre, Department of Chemistry, University of Oxford, Oxford, OX1 3QR, UK. edman.tsang@chem.ox.ac.uk.
authors.forename: Shik Chi Edman
authors.initials: SC
authors.lastname: Tsang
keywords: Brønsted acid sites; Rietveld refinement; catalysis; powder X-ray diffraction; zeolites