Theoretical mechanistic study of metallaphotoredox catalysis: C–N cross-coupling via Ni(ii)-mediated σ-bond metathesis

2020 ◽  
Vol 7 (16) ◽  
pp. 2168-2178 ◽  
Author(s):  
Run-Han Li ◽  
Bo Zhu ◽  
Shuang Wang ◽  
Yun Geng ◽  
Li-Kai Yan ◽  
...  
Keyword(s):  
Cross Coupling ◽  
Mechanistic Study ◽  
Radical Mechanism

A radical mechanism merging *IrIII reductive quenching and NiII-mediated σ-bond metathesis has been proposed for metallaphotoredox catalyzed C–N cross-coupling.

Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study

2021 ◽  
Author(s):  
Darya O. Prima ◽  
Malena Madiyeva ◽  
Julia V. Burykina ◽  
Mikhail E. Minyaev ◽  
Daniil A. Boiko ◽  
...  
Keyword(s):  
Type System ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Mechanistic Study ◽  
Cross Coupling Reaction

The mechanism of the C–N cross-coupling reaction, catalyzed by Pd/NHC, was evaluated at the molecular and nanoscale levels. The first evidence for the involvement of a “cocktail”-type system in the Buchwald–Hartwig reaction is provided.

Dirhodium(II)-Catalyzed Diamination Reaction via a Free Radical Pathway

2021 ◽  
Author(s):  
Zhiying Fan ◽  
Zhifan Wang ◽  
Ruoyi Shi ◽  
Yuanhua Wang
Keyword(s):  
Free Radical ◽  
Bond Formation ◽  
Mechanistic Study ◽  
Radical Mechanism ◽  
Free Radical Mechanism

Unlike C-N bond formation with classical dirhodium(II)-nitrenoids as the key intermediate, dirhodium(II)-catalyzed 1,2-and 1,3-diamination reactions are realized by a free radical mechanism. A mechanistic study revealed that the reactions undergo...

scholarly journals Kinetics and mechanism of meso-tetraphenylporphyriniron(III) chloride (TPP) catalysed oxidation of indole by sodium perborate

2013 ◽  
Vol 15 (2) ◽  
pp. 107-111 ◽  
Author(s):  
D. Kungumathilagam ◽  
K. Karunakaran
Keyword(s):  
Acetic Acid ◽  
Catalytic Activity ◽  
Reaction System ◽  
Kinetic Scheme ◽  
Mechanistic Study ◽  
Radical Mechanism ◽  
Aqueous Acetic Acid ◽  
Sodium Perborate ◽  
Acetic Acid Medium ◽  
Catalysed Oxidation

Developing catalyst is very significant for biologically important reactions which yield products, used as drugs. Mechanistic study on meso-tetraphenylporphyriniron(III) chloride (TPP) catalysed oxidation of indole by sodium perborate in aqueous acetic acid medium have been carried out. The reaction follows a fractional order with respect to substrate and catalyst. The order with respect to oxidant was found to be one. Increase in the percentage of acetic acid and increase in the concentration of [H+] decreased the rate. The reaction fails to initiate polymerization, and a radical mechanism is ruled out. Activation and thermodynamic parameters have been computed. A suitable kinetic scheme based on these observations has been proposed. Significant catalytic activity is observed for the reaction system in the presence of TPP.

scholarly journals Roles of Iron Complexes in Catalytic Radical Alkene Cross-Coupling: A Computational and Mechanistic Study

2019 ◽  
Vol 141 (18) ◽  
pp. 7473-7485 ◽  
Author(s):  
Dongyoung Kim ◽  
S. M. Wahidur Rahaman ◽  
Brandon Q. Mercado ◽  
Rinaldo Poli ◽  
Patrick L. Holland
Keyword(s):  
Cross Coupling ◽  
Iron Complexes ◽  
Mechanistic Study

Mechanistic study on the cross-coupling of alkynyl stannanes with aryl iodides catalyzed by η2-(dimethyl fumarate)palladium(0) complexes with iminophosphine ligands

2003 ◽  
pp. 2194-2202 ◽  
Author(s):  
Bruno Crociani ◽  
Simonetta Antonaroli ◽  
Valentina Beghetto ◽  
Ugo Matteoli ◽  
Alberto Scrivanti
Keyword(s):  
Cross Coupling ◽  
Dimethyl Fumarate ◽  
Mechanistic Study ◽  
Aryl Iodides ◽  
The Cross

scholarly journals Kinetics and Mechanism ofmeso-Tetraphenylporphyrin Iron(III) Chloride Catalysed Oxidation of Indole-3-Acetic Acid by Peroxomonosulphate

2013 ◽  
Vol 2013 ◽  
pp. 1-8
Author(s):  
Durairaj Kungumathilagam ◽  
Kulanthaivel Karunakaran
Keyword(s):  
Acetic Acid ◽  
Reaction System ◽  
Kinetic Scheme ◽  
Mechanistic Study ◽  
Radical Mechanism ◽  
First Order ◽  
Catalysed Oxidation ◽  
Indole 3 Acetic Acid ◽  
Catalyst Increase ◽  
Acetonitrile Medium

Mechanistic study onmeso-tetraphenylporphyrin iron(III) chloride (TPP) catalysed oxidation of indole-3-acetic acid by peroxomonosulphate (oxone) in aqueous acetonitrile medium has been carried out. The reaction follows a first order with respect to both substrate and oxidant. The order with respect to catalyst was found to be fractional. The order of reaction with respect to catalyst varies with a concentration of catalyst. Increase in percentage of acetonitrile decreased the rate. The reaction fails to initiate polymerization, and a radical mechanism is ruled out. Activation and thermodynamic parameters have been computed. A suitable kinetic scheme based on these observations is proposed. Significant catalytic activity is observed for the reaction system in the presence of TPP.

scholarly journals A mechanistic investigation of the photoinduced, copper-mediated cross-coupling of an aryl thiol with an aryl halide

2016 ◽  
Vol 7 (7) ◽  
pp. 4091-4100 ◽  
Author(s):  
Miles W. Johnson ◽  
Kareem I. Hannoun ◽  
Yichen Tan ◽  
Gregory C. Fu ◽  
Jonas C. Peters
Keyword(s):  
Electron Transfer ◽  
Aryl Halide ◽  
Cross Coupling ◽  
Single Electron ◽  
Mechanistic Study ◽  
Single Electron Transfer ◽  
Radical Recombination ◽  
Mechanistic Investigation

A mechanistic study establishes the viability of a copper-mediated pathway for photoinduced C–S cross-coupling involving single electron transfer and in-cage radical recombination.

Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization

2013 ◽  
Vol 32 (13) ◽  
pp. 3738-3743 ◽  
Author(s):  
Chunhong Zhang ◽  
Hong Zhang ◽  
Laiying Zhang ◽  
Ting Bin Wen ◽  
Xumin He ◽  
...  
Keyword(s):  
Cross Coupling ◽  
Mechanistic Study

scholarly journals A mechanistic study of cross-coupling reactions catalyzed by palladium nanoparticles supported on polyaniline nanofibers

2015 ◽  
Vol 2 (1) ◽  
pp. 35-41 ◽  
Author(s):  
William M. Lemke ◽  
Richard B. Kaner ◽  
Paula L. Diaconescu
Keyword(s):  
Palladium Nanoparticles ◽  
Cross Coupling ◽  
Mechanistic Study ◽  
Coupling Reactions ◽  
Polyaniline Nanofibers ◽  
Cross Coupling Reactions ◽  
Homogeneous Mechanism

Pd/PANI nanocomposites effect C–C coupling reactions mainly through a homogeneous mechanism.

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