A litmus test for the balanced description of dispersion interactions and coordination chemistry of lanthanoids

The influence of long-range interactions on the structure of complexes of Eu( iii ) with four 9-hydroxy-phenalen-1-one ligands (HPLN) and one alkaline earth metal dication [Eu(PLN) 4 AE] + (AE: Mg, Ca, Sr, and Ba) is analyzed. Through the [Eu(PLN) 4 Ca] + complex, which is a charged complex with two...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-10, Vol.24 (41), p.2516-25117
Hauptverfasser:	Quesada, Juana Vázquez, Chmela, Ji í, Greisch, Jean-François, Klopper, Wim, Harding, Michael E
Format:	Artikel
Sprache:	eng
Schlagworte:	Alkaline earth metals Calcium Density functional theory Ionic mobility Ligands Photoluminescence
Online-Zugang:	Volltext
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