ja409764j_si_003.cif (680.88 kB)

Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium

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posted on 27.11.2013 by Markus G. Scheibel, Yanlin Wu, A. Claudia Stückl, Lennard Krause, Elena Carl, Dietmar Stalke, Bas de Bruin, Sven Schneider
Irradiation of rhodium­(II) azido complex [Rh­(N3)­{N­(CHCHPtBu2)2}] allowed for the spectroscopic characterization of the first reported rhodium complex with a terminal nitrido ligand. DFT computations reveal that the unpaired electron of rhodium­(IV) nitride complex [Rh­(N)­{N­(CHCHPtBu2)2}] is located in an antibonding Rh–N π* bond involving the nitrido moiety, thus resulting in predominant N-radical character, in turn providing a rationale for its transient nature and observed nitride coupling to dinitrogen.