학술논문

N,N′‐bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction.
Document Type
Article
Source
Applied Organometallic Chemistry. Oct2020, Vol. 34 Issue 10, p1-16. 16p.
Subject
*PALLADIUM
*DENSITY functional theory
*SUZUKI reaction
*ATMOSPHERIC temperature
Language
ISSN
0268-2605
Abstract
This work examines how N‐donor bridged spacer ligands affect N‐heterocyclic carbene (NHC) palladium complexes catalytic activities for Suzuki coupling reaction. Different degrees of structural flexibility binuclear NHC palladium complexes were synthesized. The more flexible nitrogen‐based alkyl chain ligand shows similar performance with cycloamine counterparts in the Suzuki coupling reaction. Suzuki coupling examples were used in air and ambient temperature to reach moderate to completion yields in short time. Density functional theory calculations showed that the chelate effect, associated with a single Pd complex mechanism, plays a fundamental role in the pre‐catalysis stage, supporting a reasonable of the kinetic activity observed experimentally. [ABSTRACT FROM AUTHOR]