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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/50958
Record Status
Checked
Record Id
50958
Title
Solvent structure and the extended range hydration of Cr
3+
in aqueous solution
Contributors
DT Bowron (STFC Rutherford Appleton Lab.)
,
S Diaz- Moreno (Cockcroft Inst.)
Abstract
H/D isotopic substitution neutron scattering has been used to investigate the short and intermediate range solution structure in a 1 m aqueous solution of chromium nitrate. To improve the reliability of the local structural information on the cation environment, information has been incorporated from available extended X-ray absorption fine structure (EXAFS) spectroscopy data into the applied analytical framework. The markedly different structural sensitivities of the experimental probes allow the construction of a detailed three-dimensional atomistic model using the empirical potential structure refinement (EPSR) technique. The method facilitates the construction of a model that is consistent with regards to both the structural details of the immediate Cr3+ aqua-ion environment and the bulk hydrogen-bonded network of solvent water molecules. The results confirm the suitability of the [Cr(H2O)6]3+ hydrated ion concept to describe the first hydration shell of this cation and clarify how this pseudomolecular unit is structurally incorporated in the longer range aqueous environment.
Organisation
ISIS
,
ISIS-SANDALS
,
STFC
Keywords
Chemistry
,
Neutron Scattering
,
EPSR
,
Solution Structure
,
EXAFS
,
Diamond Light Source
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
J Phys Chem B
113 (2009): 11858-11864.
doi:10.1021/jp904382n
2009
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