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Tris‐{hydridotris(1‐pyrazolyl)borato}actinide Complexes: Synthesis, Spectroscopy, Crystal Structure, Bonding Properties and Magnetic Behaviour

Apostolidis, Christos; Kovács, Attila; Walter, Olaf; Colineau, Eric; Griveau, Jean‐Christophe; Morgenstern, Alfred; Rebizant, Jean; Caciuffo, Roberto; Panak, Petra J.; Rabung, Thomas; Schimmelpfennig, Bernd; Perfetti, Mauro

Abstract:
The isostructural compounds of the trivalent actinides uranium, neptunium, plutonium, americium, and curium with the hydridotris(1-pyrazolyl)borato (Tp) ligand An[η$_{3}$-HB(N$_{2}$C$_{3}$H$_{3}$)$_{3}$]$_{3}$ (AnTp$_{3}$) have been obtained through 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.

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Verlagsausgabe §
DOI: 10.5445/IR/1000124602
Veröffentlicht am 14.10.2020
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nukleare Entsorgung (INE)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 01.09.2020
Sprache Englisch
Identifikator ISSN: 0947-6539, 1521-3765
KITopen-ID: 1000124602
Erschienen in Chemistry - a European journal
Band 26
Heft 49
Seiten 11293–11306
Vorab online veröffentlicht am 29.07.2020
Nachgewiesen in Scopus
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