ISIS Neutron and Muon Source Data Journal

Understanding Structure-Direction of Organic Molecules in Zeolite Synthesis through Mobility of Template Molecules

Abstract: The mobility of zeolite structure directing agent (SDA) 1,2,3-triethylimidazolium (TEI) when still confined in zeolites MFI and STF after synthesis will be measured using quasielastic neutron scattering (QENS). The efficiency of such molecules to template zeolite frameworks is strongly dependent on the non-bonding interactions between the SDA and the zeolite, not studied in detail previously. The proposal aims is to measure the strength of TEI interactions with two very different frameworks it is employed to template. Its rotational mobility/chain flexibility in MFI (a network of intersected channels) and STF (more spherical shaped cages) will be studied. Recent NMR measurements and MD simulations show more conformational mobility of TEI in the STF framework. We aim therefore to complement these studies with QENS data quantifying thermal barriers to motion, and rotational information.

Principal Investigator: Dr LUIS GOMEZ-HORTIGUELA
Experimenter: Dr Stephanie Richardson
Experimenter: Ms Andrea Zachariou
Experimenter: Dr Alexander Hawkins
Experimenter: Professor David Lennon
Experimenter: Professor Richard Catlow
Local Contact: Dr Ian Silverwood
Experimenter: Dr Alexander O'Malley

DOI: 10.5286/ISIS.E.RB1620160

ISIS Experiment Number: RB1620160

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr LUIS GOMEZ-HORTIGUELA et al; (2016): Understanding Structure-Direction of Organic Molecules in Zeolite Synthesis through Mobility of Template Molecules, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620160

Data is released under the CC-BY-4.0 license.