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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

Author:
Matveev, P. I., Mitrofanov, A. A., Petrov, V. G., Zhokhov, S. S., Smirnova, A. A., Ustynyuk, Yu. A., Kalmykov, S. N.
Source:
RSC advances 2017 v.7 no.87 pp. 55441-55449
ISSN:
2046-2069
Subject:
electrospray ionization mass spectrometry, europium, irradiation, ligands, radiolysis, solvents
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.
Agid:
6422412