Testing a simple approach for theoretical evaluation of radiolysis products in extraction systems. A case of N, O-donor ligands for Am/Eu separation. Issue 87 (7th December 2017)

• Record Type: Journal Article
• Authors: Matveev, P. I.; Mitrofanov, A. A.; Petrov, V. G.; Zhokhov, S. S.; Smirnova, A. A.; Ustynyuk, Yu. A.; Kalmykov, S. N.
• Is Part Of: RSC advances. Volume 7:Issue 87(2017)
• Page Start: 55441
• Page End: 55449
• Publication Date: 2017-12-07
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c7ra11622e
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : Here we present experimental confirmation of the theoretical calculation of organic ligands' radiolytic degradation. 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(5 H, 9 H )-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.