Research

Probing hydrogen positions in hydrous compounds : information from parametric neutron powder diffraction studies


Reference:

Ting, V. P., Henry, P. F., Schmidtmann, M., Wilson, C. C. and Weller, M. T., 2012. Probing hydrogen positions in hydrous compounds : information from parametric neutron powder diffraction studies. Physical Chemistry Chemical Physics, 14 (19), pp. 6914-6921.

Related documents:

[img]
Preview
PDF (Ting_PCCP_2012_14_19_6914.pdf) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Download (8MB) | Preview

    Official URL:

    http://dx.doi.org/10.1039/c2cp40366h

    Abstract

    We demonstrate the extent to which modern detector technology, coupled with a high flux constant wavelength neutron source, can be used to obtain high quality diffraction data from short data collections, allowing the refinement of the full structures (including hydrogen positions) of hydrous compounds from in situ neutron powder diffraction measurements. The in situ thermodiffractometry and controlled humidity studies reported here reveal that important information on the reorientations of structural water molecules with changing conditions can be easily extracted, providing insight into the effects of hydrogen bonding on bulk physical properties. Using crystalline BaCl 2·2H 2O as an example system, we analyse the structural changes in the compound and its dehydration intermediates with changing temperature and humidity levels to demonstrate the quality of the dynamic structural information on the hydrogen atoms and associated hydrogen bonding that can be obtained without resorting to sample deuteration.

    Details

    Item Type Articles
    CreatorsTing, V. P., Henry, P. F., Schmidtmann, M., Wilson, C. C. and Weller, M. T.
    DOI10.1039/c2cp40366h
    DepartmentsFaculty of Engineering & Design > Chemical Engineering
    Faculty of Science > Chemistry
    RefereedYes
    StatusPublished
    ID Code30144

    Export

    Actions (login required)

    View Item

    Document Downloads

    More statistics for this item...