Emerging Trends in Cross-Coupling: Twelve-Electron-Based L1Pd(0) Catalysts, Their Mechanism of Action, and Selected Applications

SJ Firsan, V Sivakumar, TJ Colacot - Chemical Reviews, 2022 - ACS Publications
Monoligated palladium (0) species, L1Pd (0), have emerged as the most active catalytic
species in the cross-coupling cycle. Today, there are methods available to generate the …

Mechanistic aspects of the palladium‐catalyzed Suzuki‐Miyaura cross‐coupling reaction

MC D'Alterio, È Casals‐Cruañas… - … A European Journal, 2021 - Wiley Online Library
The story of C− C bond formation includes several reactions, and surely Suzuki‐Miyaura is
among the most outstanding ones. Herein, a brief historical overview of insights regarding …

The Stille reaction, 38 years later

C Cordovilla, C Bartolomé, JM Martinez-Ilarduya… - Acs …, 2015 - ACS Publications
The first now-named Stille reaction was published 38 years ago, and the last comprehensive
revision of this catalysis was in 2004. Since then, the knowledge of the different steps of the …

Solvent effects in catalysis: rational improvements of catalysts via manipulation of solvent interactions

PJ Dyson, PG Jessop - Catalysis Science & Technology, 2016 - pubs.rsc.org
In homogeneous catalysis, the main emphasis on improving catalyst performance (rate,
yield and selectivity) is directed towards manipulation of the ligands. The steric and …

We Already Know Everything about Oxidative Addition to Pd (0): Do We?

J Rio, H Liang, MEL Perrin, LA Perego, L Grimaud… - ACS …, 2023 - ACS Publications
The oxidative addition (OA) of organic electrophiles to Pd (0) is a fundamental step in
organopalladium chemistry and plays a key role in palladium-catalyzed cross-coupling …

Site-selective Suzuki–Miyaura coupling of heteroaryl halides–understanding the trends for pharmaceutically important classes

J Almond-Thynne, DC Blakemore, DC Pryde… - Chemical …, 2017 - pubs.rsc.org
Suzuki–Miyaura cross-coupling reactions of heteroaryl polyhalides with aryl boronates are
surveyed. Drawing on data from literature sources as well as bespoke searches of Pfizer's …

Photoexcitation of Distinct Divalent Palladium Complexes in Cross‐Coupling Amination Under Air

R Kancherla, K Muralirajan, S Dutta… - Angewandte Chemie …, 2024 - Wiley Online Library
The development of metal complexes that function as both photocatalyst and cross‐coupling
catalyst remains a challenging research topic. So far, progress has been shown in palladium …

Calculation of reaction free energies in solution: a comparison of current approaches

M Besora, P Vidossich, A Lledos… - The Journal of …, 2018 - ACS Publications
The result of the application of different approaches based on the ideal gas/rigid
rotor/harmonic oscillator (IGRRHO) model, commonly used in popular software packages …

Mechanistic Origin of Ligand Effects on Exhaustive Functionalization During Pd-Catalyzed Cross-Coupling of Dihaloarenes

NG Larson, JP Norman, SR Neufeldt - ACS catalysis, 2024 - ACS Publications
We describe a detailed investigation into why bulky ligands─ those that enable catalysis at
“12 e–” Pd0─ tend to promote overfunctionalization during Pd-catalyzed cross-couplings of …

Experiment and computation: a combined approach to study the reactivity of palladium complexes in oxidation states 0 to IV

KJ Bonney, F Schoenebeck - Chemical Society Reviews, 2014 - pubs.rsc.org
As the accuracy of computational chemistry increases, and the advent of more powerful
computers decreases the amount of time required to perform complex calculations, the use …