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H–H and N–H Bond Cleavages of Dihydrogen and Ammonia by a Bifunctional Imido (NH)-Bridged Diiridium Complex: A DFT Study

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Published in 2017 at "Organometallics"

DOI: 10.1021/acs.organomet.7b00581

Abstract: The mechanisms of H–H and N–H bond cleavages of dihydrogen and ammonia mediated by the diiridium μ2-imido complex [(Cp*Ir)2(μ2-H)(μ2-NH)]+ (A; Cp* = η5-C5Me5) were theoretically investigated with the density functional theory (DFT) method. Both oxidative… read more here.

Keywords: imido; bond; dihydrogen ammonia; cleavages dihydrogen ... See more keywords