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JOURNAL ARTICLE
RESEARCH SUPPORT, NON-U.S. GOV'T
Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.
Journal of the American Chemical Society 2018 January 32
We report an unexpected rearrangement of a deprotonated picolyl-functionalized N-heterocyclic carbene (NHC) ligand from N,C-chelate to N,N-chelate in three-legged piano-stool Fe(II) and Ru(II) complexes. The reaction mechanism has been explored for one of the Fe(II) complexes. Experimental and computational studies suggest an unusual intermediate featuring a four-membered chelate ring, where the NHC and the α-carbon of one of the N-substituents coordinate to the Fe(II) center. A possible Fe-alkylidene intermediate has also been predicted by computations.
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