Shannon Effective Ionic Radii
Link
to Acta Crystallographica for Original Article Copyright © International Union of Crystallography. Reproduced with permission. Choose an electronic version of the Table Tab Delimited Text File. (.txt - Import into your favorite software package) Excel Spreadsheet. (.xls - It's just so dang useful.)
Notes and comments on Electronic Version
You are welcome to freely use the electronic tables. If you utilize
one of the files above and make public reference, please reference the
original article and "Electronic Table of Shannon Ionic Radii, J. David Van
Horn, 2001, downloaded MO/DA/YEAR."
The electronic version differs from the original in the inclusion of a record number
for the first column. Also added is a column of charge/ionic radius; see Example 1 below.
Abbreviations used: HS=high spin, LS=low spin,R from r3 vs V plots, C=calculated,
E=estimated, ?=doubtful, *=most reliable, M from metallic oxides.
Example 1: How is
Iron(III) like Plutonium(IV)? In designing sequestering agents for waste cleanup or
decorporation agents for accidental ingestion of actinides, researchers often
turn to ‘model’ metal cations to avoid the costs and risks associated with
using actinide elements. Lanthanides
are sometimes used as actinide mimics, and are well suited for the later
elements in the row (compare Nd(III) to Am(III) or Cm(III)). However, the early
actinides are multifaceted elements with many fine points in their
chemistry. The biological activity of Pu(IV) in mimicking Fe(III) pointed to
similar characteristics in these two
cations, which can be highlighted by comparison of their ‘charge to radius
ratio’. Compare:
While oxidation state and ionic radius are different for Ce(IV), Fe(III), and Pu(IV), their charge to radius ratios (a rough surface charge measure) are similar. Ce(IV) is the best non-radioactive model for Pu(IV), as might be expected. While models have their use, ultimately the actinides should be studied directly. Exercise:Another better guide might be to compare charge to surface area (A = 4 p r2); this is readily done using the spreadsheet. A) Set up an extra column on the spreadsheet, and enter the equation, Z/A (Z=charge, A=area (see above)). B) Compare charge to surface ratios of Pu(IV) to Fe(III), to Ce(IV)[coordination numbers 6 and 8, or others]. What is the result? Which cations are most alike? Different? Example 2: Can the ionic radius of Pb(II) be linked to its toxicity? Lead poisoning of children in major cities is a continuing problem. While lead-based paint is thought to be the major factor, urban sites with contaminated soil may be a major source of the observed human exposure. Lead is thought to coordinate to free (lone) sulfhydryl (-SH) groups on proteins in the body, thus potentially altering their function. Additionally, there is evidence that lead affects processes in the body that involve calcium. Some of the effects of lead poisoning include metabolic disorders, problems with nervous system development and functioning, and other diseases.Can a survey of lead ion characteristics point to a partial explanation of its deleterious effects? The table below lists a number of (+2) cations, both biologically healthful and harmful.
The first noticeable thing in this comparison is the difference in ionic radii of lead and calcium versus zinc and magnesium; the latter ions are significantly smaller. Highlighted in red are lead(II), calcium(II) and cadmium(II) with coordination number 8. The similarity suggests a role for lead in replacing calcium, potentially affecting processes associated with calcium. A comparison of charge to radius ratios (last column) also points to similarities between the metals that may be clues to their activities in biological systems. Exercise: A) Compare charge to surface area, as in the example above. B) Is there literature comparing the physical characteristics of lead(II) to calcium(II)? (Internet, Literature database, Library) C) Investigate how lead poisoning is treated. Do chelating agents target ion size, charge, ligand affinities, or other features of heavy metals? Page and Spreadsheet created by David Van Horn. Last updated 1/31/07
|