N , N ′‐bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction

2020 ◽  
Vol 34 (10) ◽  
Author(s):  
Ming‐Tsz Chen ◽  
Bing‐Yan Hsieh ◽  
Yi‐Hung Liu ◽  
Kuo‐Hui Wu ◽  
Natália Lussari ◽  
...  
Keyword(s):  
Computational Study ◽  
Suzuki Reaction ◽  
Palladium Complexes

A DFT Computational Study of the Bis-Silylation Reaction of Acetylene Catalyzed by Palladium Complexes

2002 ◽  
Vol 124 (19) ◽  
pp. 5506-5513 ◽  
Author(s):  
Andrea Bottoni ◽  
Alicia Perez Higueruelo ◽  
Gian Pietro Miscione
Keyword(s):  
Computational Study ◽  
Palladium Complexes ◽  
Silylation Reaction

Highly selective Suzuki reaction catalysed by a molecular Pd-P-MOF catalyst under mild conditions: role of ligands and palladium speciation

2022 ◽  
Author(s):  
Daniele Cartagenova ◽  
Stephan Bachmann ◽  
Kurt Püntener ◽  
Michelangelo Scalone ◽  
Mark A Newton ◽  
...  
Keyword(s):  
Large Scale ◽  
State Of The Art ◽  
Suzuki Reaction ◽  
Cross Coupling ◽  
Palladium Complexes ◽  
Fine Chemicals ◽  
Coupling Reactions ◽  
Mild Conditions ◽  
Cross Coupling Reactions

Cross-coupling reactions are a fundamental tool in the large scale synthesis of pharma-, agro- and fine chemicals. Homogeneous palladium complexes remain the state-of-the-art catalysts even though the use of heterogeneous...

Experimental and Computational Study of the Structure, Steric Properties, and Binding Equilibria of Neopentylphosphine Palladium Complexes

2020 ◽  
Vol 59 (8) ◽  
pp. 5579-5592
Author(s):  
Kerry L. Barnett ◽  
Monica Vasiliu ◽  
Trent H. Stein ◽  
Matthew V. Delahay ◽  
Fengrui Qu ◽  
...  
Keyword(s):  
Computational Study ◽  
Palladium Complexes

A DFT computational study of the mechanism of butadiene carbonylation catalyzed by palladium complexes

2006 ◽  
Vol 104 (5-7) ◽  
pp. 805-831 ◽  
Author(s):  
M. A. Carvajal ◽  
G. P. Miscione ◽  
A. Accardi ◽  
J. J. Novoa ◽  
A. Bottoni
Keyword(s):  
Computational Study ◽  
Palladium Complexes

DFT Computational Study of the Mechanism of Allyl Chloride Carbonylation Catalyzed by Palladium Complexes

2005 ◽  
Vol 24 (9) ◽  
pp. 2086-2096 ◽  
Author(s):  
M. Angels Carvajal ◽  
Gian Pietro Miscione ◽  
Juan J. Novoa ◽  
Andrea Bottoni
Keyword(s):  
Computational Study ◽  
Allyl Chloride ◽  
Palladium Complexes

Methylamine Derivatives with 1,2-Azole Fragments: Synthesis, Palladium Complexes, Catalysis of the Suzuki Reaction

2021 ◽  
Vol 91 (8) ◽  
pp. 1512-1518
Author(s):  
E. A. Akishina ◽  
Е. А. Dikusar ◽  
S. K. Petkevich ◽  
R. S. Alekseyev ◽  
N. A. Bumagin ◽  
...  
Keyword(s):  
Suzuki Reaction ◽  
Palladium Complexes

scholarly journals Synthesis, Characterization, and Catalytic Application of Palladium Complexes Containing Indolyl-NNN-Type Ligands

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4426
Author(s):  
Pang-Chia Lo ◽  
Chun-Wei Yang ◽  
Wen-Kai Wu ◽  
Chi-Tien Chen
Keyword(s):  
Nmr Spectroscopy ◽  
Aryl Halide ◽  
Suzuki Reaction ◽  
Palladium Complexes ◽  
Molecular Structures ◽  
Palladium Acetate ◽  
X Ray Diffraction ◽  
X Ray ◽  
Catalytic Application ◽  
Ligand Precursors

In this study, a series of N-heterocyclic indolyl ligand precursors 2-Py-Py-IndH, 2-Py-Pz-IndH, 2-Py-7-Py-IndH, 2-Py-7-Pz-IndH, and 2-Ox-7-Py-IndH (L1H-L5H) were prepared. The treatment of ligand precursors with 1 equivalent of palladium acetate affords palladium complexes 1–5. All ligand precursors and palladium complexes were characterized by NMR spectroscopy and elemental analysis. The molecular structures of complexes 3 and 5 were determined by single crystal X-ray diffraction techniques. The application of those palladium complexes 1–5 to the Suzuki reaction with aryl halide substrates was examined.

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