Mechanism of CO sub(2) Fixation by Ir super(I)-X Bonds (X = OH, OR, N, C)

Density functional theory calculations have been used to investigate the CO sub(2) fixation mechanism proposed by Nolan et al. for the Ir super(I) complex [Ir(cod)(IiPr)(OH)] (1; cod = 1,5-cyclooctadiene; IiPr = 1,3-diisopropylimidazol-2-ylidene) and its derivatives. For 1, our results suggest that...

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Veröffentlicht in:	European journal of inorganic chemistry 2015-10, Vol.2015 (28), p.4653-4657
Hauptverfasser:	Vummaleti, Sai Vikrama Chaitanya, Talarico, Giovanni, Nolan, Steven P, Cavallo, Luigi, Poater, Albert
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon capture and storage Carbon dioxide Density functional theory Derivatives Fixation Insertion Mathematical analysis Phenyls
Online-Zugang:	Volltext
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