Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 58, Issue 1, Pages 211-215Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201811380
Keywords
C-C bond formation; chemoselectivity; cross-coupling; density functional calculations; palladium trimers
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Funding
- RWTH Aachen
- JARA-HPC from RWTH Aachen University [jara0091]
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While there is a growing interest in harnessing synergistic effects of more than one metal in catalysis, relatively little is known beyond bimetallic systems. This report describes the straightforward access to an air-stable Pd trimer and presents unambiguous reactivity data of its privileged capability to differentiate C-I over C-Br bonds in C-C bond formations (arylation and alkylation) of polyhalogenated arenes, which typical Pd-0 and Pd-I-Pd-I catalysts fail to deliver. Experimental and computational reactivity data, including the first location of a transition state for bond activation by the trimer, are presented, supporting direct trimer reactivity to be feasible.
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