Tris‐{hydridotris(1‐pyrazolyl)borato}actinide Complexes: Synthesis, Spectroscopy, Crystal Structure, Bonding Properties and Magnetic Behaviour
Christos Apostolidis, Attila Kovács, Olaf Walter, Éric Colineau, Jean‐Christophe Griveau, Aliyah Morgenstern, J. Rébizant, R. Caciuffo, Petra J. Panak, Thomas Rabung, Bernd Schimmelpfennig, Mauro Perfetti
Abstract
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.