Webbläsaren som du använder stöds inte av denna webbplats. Alla versioner av Internet Explorer stöds inte längre, av oss eller Microsoft (läs mer här: * https://www.microsoft.com/en-us/microsoft-365/windows/end-of-ie-support).

Var god och använd en modern webbläsare för att ta del av denna webbplats, som t.ex. nyaste versioner av Edge, Chrome, Firefox eller Safari osv.

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

In English

Författare

  • Valeska P. Ting
  • Paul Henry
  • Marc Schmidtmann
  • Chick C. Wilson
  • Mark T. Weller

Summary, in English

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 BaCl2 center dot 2H(2)O 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.

Publiceringsår

2012

Språk

Engelska

Sidor

6914-6921

Publikation/Tidskrift/Serie

Physical Chemistry Chemical Physics

Volym

14

Issue

19

Dokumenttyp

Artikel i tidskrift

Förlag

Royal Society of Chemistry

Ämne

  • Natural Sciences
  • Physical Sciences

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 1463-9084