Optical and Magnetic Properties of the Complex Bis(dicyclooctatetraenyl)diuranium. A Theoretical View

A systematic study on bis(dicyclooctatetraenyl)diuranium (U2COT4) has been performed using relativistic density functional theory. The molecule was calculated in four different electronic configurations and the two symmetries C 2 and D 2h . First we considered the high-spin quintuplet (5A) state, an...

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Veröffentlicht in:	Organometallics 2012-09, Vol.31 (17), p.6297-6304
Hauptverfasser:	Páez-Hernández, Dayán, Murillo-López, Juliana Andrea, Arratia-Pérez, Ramiro
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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