Electronic and structural features of octa-coordinated yttrium-ammonia complexes: the first neutral solvated electron precursor with eight ligands and three outer electrons

The neutral and charged yttrium metal-ammonia complexes, [Y(NH 3 ) 8 ] 0,± , are investigated using state-of-the-art quantum chemical calculations. The electronic structure of these complexes is described as an Y(NH 3 ) 8 3+ core with two, three, and four electrons orbiting in its periphery. Unlike...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2019, Vol.21 (13), p.798-714
Hauptverfasser:	Almeida, Nuno M. S, Miliordos, Evangelos
Format:	Artikel
Sprache:	eng
Schlagworte:	Alkali metals Ammonia Coordination compounds Electron affinity Electron states Electronic structure Electrons Ionization Ligands Mathematical analysis Organic chemistry Precursors Quantum chemistry Transition metals Yttrium
Online-Zugang:	Volltext
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