Journal
INORGANIC CHEMISTRY
Volume 50, Issue 10, Pages 4572-4579Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic200260r
Keywords
-
Categories
Funding
- CASPUR
- Standard HPC
- GNR-Paris
Ask authors/readers for more resources
A new set of ionic radii in aqueous solution has been derived for lanthanoid(III) cations starting from a very accurate experimental determination of the ion water distances obtained from extended X-ray absorption fine structure (EXAFS) data. At variance with previous results, a very regular. trend has been obtained, as expected for this series of elements. A general procedure to compute ionic radii in solution by combining the EXAFS technique and molecular dynamics (MD) structural data has been developed. This method can be applied to other ions allowing one to determine ionic radii in solution with an accuracy comparable to that of the Shannon crystal ionic radii.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available