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

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.