EXAFS studies and gaussian view energy calculations of the complexation of europium with 1,3,5-trideoxy-1,3,5-tris((2-hydroxybenzyl)amino)-cis-inositol |
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Authors: | Daphne P Taylor Gregory R Choppin Cleveland J Dodge AJ Francis |
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Institution: | aDepartment of Chemistry and Biochemistry, Florida State University, Tallahassee, FL, United States;bEnvironmental Sciences Department, Brookhaven National Laboratory, Upton, NY, United States |
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Abstract: | Complexation of 1,3,5-trideoxy-1,3,5-tris((2-hydroxybenzyl)amino)-cis-inositol (thci) in I = 1.00 M (NaClO4) with Eu(III) and La(III) was studied by EXAFS measurements and gaussian view energy calculations.EXAFS studies indicated that two complexes Eu(thci)2+ and are formed with thci and Eu(III). At lower pH, Eu(III) is bonded to thci via two hydroxyl groups (cyclohexanetriol or 2-hydroxybenzylamino moieties) and 7 H2O molecules, for a total of 9 Eu–O bonds. However, at higher pH there are two hydroxyl groups (cyclohexanetriol or 2-hydroxybenzylamino moieties), two amino groups, and five water molecules for a total Eu(III) coordination number of 9. gaussian view energy calculations indicate that in the Eu(thci)2+, thci bonds to Eu(III) in a similar manner and is in good correlation with the EXAFS data. |
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