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

ABSTRACT: The isostructural compounds of the trivalent actinides uranium, neptunium, plutonium, americium, and curium with the hydridotris(1-pyrazolyl)borato (Tp) ligand An[?3 -HB(N2 C3 H3 )3 ]3 (AnTp3 ) 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.

SUBMITTER: Apostolidis C

PROVIDER: S-EPMC7497007 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

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

Apostolidis Christos C Kovács Attila A Walter Olaf O Colineau Eric E Griveau Jean-Christophe JC Morgenstern Alfred A Rebizant Jean J Caciuffo Roberto R Panak Petra J PJ Rabung Thomas T Schimmelpfennig Bernd B Perfetti Mauro M

Chemistry (Weinheim an der Bergstrasse, Germany) 20200729 49

The isostructural compounds of the trivalent actinides uranium, neptunium, plutonium, americium, and curium with the hydridotris(1-pyrazolyl)borato (Tp) ligand An[η3 -HB(N2 C3 H3 )3 ]3 (AnTp3 ) 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 fu ...[more]

PMID: 32519790

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