Surface complexation of Hg{sup 2+} on goethite: Mechanism from EXAFS spectroscopy and density functional calculations
Journal Article
·
· Journal of Colloid and Interface Science
EXAFS spectra of Hg{sup 2+} sorbed on goethite at pH 4.60 has revealed the existence of an inner-sphere complex with an immediate coordination shell of 2 O atoms at 2.04 {angstrom} and a further shell of 1 Fe atom at 3.28 {angstrom}. Using density functional calculations, the authors determined the optimized geometries of small clusters representing surface complexes. These results show that adsorption of Hg{sup 2+} occurs via two oxygen atoms bound to edge-sharing Fe sites on the (110) surface. This is the same surface site the authors find for Cd (1,2) and Sr (3). The short Hg{single{underscore}bond}O bond length shows that the oxygens bridging Hg and Fe atoms are deprotonated.
- Research Organization:
- Univ. of Bristol (GB)
- OSTI ID:
- 20004021
- Journal Information:
- Journal of Colloid and Interface Science, Journal Name: Journal of Colloid and Interface Science Journal Issue: 2 Vol. 219; ISSN 0021-9797; ISSN JCISA5
- Country of Publication:
- United States
- Language:
- English
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