DOI > 10.5291/ILL-DATA.5-12-308

This proposal is publicly available since 09/24/2019

Title

Guest-Induced Distortions in Urea Inclusion Compounds

Abstract

This project aims to study distortions from hexagonal symmetry in urea channel inclusion compounds induced by interactions with the guest species. These interactions between guest and channel wall are responsible for fascinating properties such as ferroelasticity. We have obtained single crystal neutron data on a hydrogen-bonded ferroelastic inclusion compound of 2,7-octanedione that is significantly distorted. We now wish to structurally characterise the urea hydrogen bonded network in two further compounds, namely 1,6-dibromohexane and hexadecane. The 1,6-dibromohexane inclusion compounds is also distorted from hexagonal symmetry but there are no apparent hydrogen bonds from the urea to the guest. The hexadecane sample is an undistorted control compound with a regular urea hydrogen bonded network. Combined with our existing (unpublished) data on the dione compound, these two samples will allow us to build up a picture of interactions between guests and host channel in these inclusion compounds and hence understand the fascinating properties that arise.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

STEED Jonathan; LEE Rachael and MASON, Sax A.. (2014). Guest-Induced Distortions in Urea Inclusion Compounds. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-12-308

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Metadata

Experiment Parameters

  • Environment temperature

    30-289K
  • Experiment energy

    0.95 A

Sample Parameters

  • Formula

    • Hexadecane/Urea
    • 1,6-dibromohexane/urea