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DOI: 10.1055/s-2008-1067225
Pd-NHC (PEPPSI) Complexes: Synthetic Utility and Computational Studies into Their Reactivity
Publikationsverlauf
Publikationsdatum:
13. August 2008 (online)
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Abstract
This review concentrates on the results obtained thus far in cross-coupling reactions utilising Pd-PEPPSI-IPr (pre)catalyst. Results from computational studies expose possible factors behind the high reactivity of this complex, as well as mechanistic details for the IPr-Pd-mediated alkyl-alkyl Negishi cross-coupling.
1 Introduction
2 Evolution to Pd-PEPPSI Complexes
2.1 Background of NHCs; Unraveling Electronic and Steric Components
2.2 Design and Preparation of Pd-PEPPSI Complexes
2.3 Mechanism of Activation and Role in the Catalytic Cycle
3 Cross-Coupling Results with Pd-PEPPSI Complexes
3.1 General Cross-Coupling Scheme
3.2 The Suzuki-Miyaura Reaction
3.3 The Kumada-Tamao-Corriu Reaction
3.4 The Negishi Reaction
3.5 Buchwald-Hartwig-Yagupol’skii Amination
4 Theory and Computation
4.1 Theory
4.2 Computation
4.3 Geometric Structure
4.4 Reaction Profile
4.5 Interactions
4.6 Atoms-in-Molecules
5 Conclusions
Key words
palladium - cross-coupling - PEPPSI - computation
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