Hydrogen-bond ordering in hexamethylenetetramine hexahydrate as a function of temperature

DOI

The title compound, more succinctly referred to as HMT-hydrate, is a rare example of a water-framework zeolite structure with an organic guest molecule hydrogen bonded to the walls of the channels. The original structure determination by Thomas Mak in 1965 located H-atoms in two of the H-bonds and concluded that the remaining undetected hydrogens were disordered. Subsequent spectroscopic studies have indicated that only one H-bond (donated to the guest HMT) is ordered and all others are disordered, with evidence for partial ordering at low T. The objective of this work is to establish conclusively the nature of the H-bonding in this material as a function temperature using SXD. We also propose to correlate the observations with Raman spectra acquired as a function of T; information such as this will assist in identifying HMT-hydrates where they may occur in outer solar system ices.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24091121
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24091121
Provenance
Creator Professor Ian Wood; Dr Dominic Fortes
Publisher ISIS Neutron and Muon Source
Publication Year 2016
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2013-07-25T07:57:54Z
Temporal Coverage End 2013-07-30T07:48:52Z