Testing a simple approach for theoretical evaluation of radiolysis products in extraction systems. A case of N,O-donor ligands for Am/Eu separation†,10.1039/C7RA11622E

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Testing a simple approach for theoretical evaluation of radiolysis products in extraction systems. A case of N,O-donor ligands for Am/Eu separation†

P. I. Matveev,A. A. Mitrofanov,V. G. Petrov,S. S. Zhokhov,A. A. Smirnova,Yu. A. Ustynyuk

RSC Advances Pub Date : 12/07/2017 00:00:00 , DOI:10.1039/C7RA11622E

Abstract

In this paper, we studied the irradiation and ageing effect on the extraction properties of N,N′-diethyl-N,N′-di(p-hexylphenyl)-1,10-phenantroline-4,7-dichloro-2,9-dicarboxamide (1) and 2,5,9,12-tetra(n-hexyl)-benzo[f]quinolino-[3,4-b]-[1,7]-naphthyridine-6,8(5H,9H)-dione (2) towards Am(III) and Eu(III). DFT calculations were applied to estimate the probable ways of radiolysis for (1) and (2). Degradation products were identified by high-resolution ESI-MS. The interaction of (1) and (2) with the products of solvent radiolysis was established to be the most probable mechanism of ligand destruction.