Title: Tris-{Hydridotris(1-pyrazolyl)borato}actinide Complexes: Synthesis, Spectroscopy, Crystal Structure, Bonding Properties and Magnetic Behaviour
Authors: APOSTOLIDIS CHRISTOSKOVACS ATTILAWALTER OLAFCOLINEAU ERICGRIVEAU JEAN-CHRISTOPHEMORGENSTERN ALFREDREBIZANT J.CACIUFFO ROBERTOPANAK P.RABUNG T.SCHIMMELPFENNIG BERNDPERFETTI MAURO
Citation: CHEMISTRY-A EUROPEAN JOURNAL vol. 26 no. 49 p. 11293 – 11306
Publisher: WILEY-V C H VERLAG GMBH
Publication Year: 2020
JRC N°: JRC118656
ISSN: 0947-6539 (online)
URI: https://publications.jrc.ec.europa.eu/repository/handle/JRC118656
DOI: 10.1002/chem.202001095
Type: Articles in periodicals and books
Abstract: The isostructural compounds with the hydridotris(1-pyrazolyl)borato (Tp) ligand An[3-HB(N2C3H3)3]3 (AnTp3) of the trivalent actinides uranium, neptunium, plutonium, americium, and curium have been obtained via several synthetic routes. Structural, spectroscopic (absorption, infrared, laser fluorescence) and magnetic characterisation of the compounds were performed in combination with crystal field, Density Functional Theory (DFT), and relativistic multiconfigurational calculations. The covalent bonding interactions were analysed in terms of the Natural Bond Orbital (NBO) and Quantum Theory of Atoms in Molecules (QTAIM) models.
JRC Directorate:Nuclear Safety and Security

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