Abstract
Ligated rhodium-carbene complexes, long postulated as critical intermediates in the chemistry catalyzed by Rh 2(O 2CR) 4, are widely believed to be polarized as shown in 1 and 2. Quantum chemical calculations for the H 2C: complex and analogs suggest a polarized structure 4 with significant participation by the “ backside” Rh atom. The groundwork is laid for a more detailed mechanistic study of Rh 2(XYCR) 4 catalysis.
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