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Mechanism of dihydride formation and hydrogen/deuterium exchange in a cationic iridium(III) complex
Journal article   Peer reviewed

Mechanism of dihydride formation and hydrogen/deuterium exchange in a cationic iridium(III) complex

Luigi Cavallo, Steven P. Nolan and Heiko Jacobsen
Canadian journal of chemistry, Vol.87(10), pp.1362-1368
01/10/2009
DOI: https://doi.org/10.1139/V09-091

Abstract

Chemistry Chemistry, Multidisciplinary Physical Sciences Science & Technology
In this manuscript, we provide a theoretical rationalization of the mechanisms that control double H(2) addition to an unsaturated 14 e cationic Ir(III) complex to yield a dihydride Ir(III) complex. Further, we also present two mechanisms that can explain the experimentally observed incorporation of deuterium into the tert-Butyl ((t)Bu) groups of the N-heterocyclic I(t)Bu ligands.

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