Chelating agents have been used extensively to bind metal ions in several industrial processes and biological systems.   One of the most commonly used chelators, diethylenetriaminepetaacetic acid (DTPA), is used as the hold-back agent in the Trivalent Actinide-Lanthanide Separation by Phosphorous reagent Extractant from Aqueous Komplexes process (TALSPEAK). Additional uses of DTPA exist in the medicinal arena as a  carrier for contrast media.  While DTPA is widely used in a variety of  applications, the fundamental chemistry for these interactions is still not completely understood. To date few studies have focused on understanding the basic principles of DTPA chelation.  This talk focuses on our efforts into understanding the structure and bonding of M-DTPA speciation, specifically La-DTPA, within the pH range of 3-8.  The use of Raman spectroscopy coupled with theoretical calculations is unique as there are no reports in the literature pairing these two approaches to develop an understanding of the metal ion speciation at specific pH.  The results will be used to develop an understanding of the changes in the La-DTPA chelation at relevant pHs by understanding changes in the electronic structure and metal-ligand bonding structure.

Insights into the bonding of Ln-DTPA chelates:  A combined experimental/theoretical study

247th National Meeting (2014)

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