On the ligand-free palladium cluster catalysed Suzuki–Miyaura reaction

2020 ◽  
Vol 22 (43) ◽  
pp. 25021-25031
Author(s):  
K. S. S. V. Prasad Reddy ◽  
Parag A. Deshpande
Keyword(s):  
Phenylboronic Acid ◽  
Palladium Clusters ◽  
Palladium Cluster ◽  
Ligand Free

DFT explains the activity of three- and four-atom palladium clusters for Suzuki–Miyaura coupling of bromobenzene and phenylboronic acid.

Water-Stabilized Three- and Four-Atom Palladium Clusters as Highly Active Catalytic Species in Ligand-Free CC Cross-Coupling Reactions

2013 ◽  
Vol 52 (44) ◽  
pp. 11554-11559 ◽  
Author(s):  
Antonio Leyva-Pérez ◽  
Judit Oliver-Meseguer ◽  
Paula Rubio-Marqués ◽  
Avelino Corma
Keyword(s):  
Cross Coupling ◽  
Coupling Reactions ◽  
Palladium Clusters ◽  
Cross Coupling Reactions ◽  
Highly Active ◽  
Ligand Free

scholarly journals INFLUENCE OF HALOGEN NATURE ON THE ADSORPTION ABILITY OF ARYL HALIDES ON PALLADIUM CLUSTERS

2021 ◽  
pp. 646-654
Author(s):  
Елена Сергеевна Бахвалова ◽  
Алексей Владимирович Быков ◽  
Линда Жановна Никошвили ◽  
Любовь Львовна Киви
Keyword(s):  
Density Functional ◽  
Phenylboronic Acid ◽  
Density Functional Theory Calculations ◽  
Energy Gain ◽  
Aryl Halides ◽  
Coupling Reactions ◽  
Palladium Clusters ◽  
Cross Coupling Reactions ◽  
Adsorption Energies ◽  
Pd Clusters

В данной работе методом теории функционала плотности проведен расчет энергий адсорбции бензольного кольца на маленьких кластерах Pd (состоящих из четырех или девяти атомов). Показано, что адсорбция бензола на кластерах палладия ведет к заметному выигрышу системы в энергии: -146 кДж/моль в случае Pd и -117 кДж/моль в случае Pd. Кроме того, для системы Pd * CH рассчитаны энергии адсорбции хлор-, бром- и йоданизола. Показано, что адсорбция йоданизола, характеризующаяся наибольшим выигрышем системы в энергии (-278 кДж/моль), происходит диссоциативно и безактивационно, что принципиально отличает его от хлор- и броманизола. Полученные данные могут использоваться для объяснения различий в поведении катализаторов на основе сверхсшитого полистирола в реакциях кросс-сочетания различных арилгалогенидов c фенилбороновой кислотой, а также того факта, что арилйодиды могут провоцировать образование гомогенных форм палладия. In this paper, the density functional theory calculations were carried out in order to find the adsorption energies of a benzene ring on small Pd clusters consisting of four or nine atoms. The adsorption of benzene on palladium clusters was found to result in a noticeable energy gain of the system: -146 kJ/mol in the case of Pd, and -117 kJ/mol in the case of Pd. The adsorption energies of chloro-, bromo- and iodoanisole on Pd * CH were also calculated. The adsorption of iodoanisole was characterized by the highest energy gain of the system (-278 kJ/mol) and occurred dissociatively without activation, that fundamentally distinguished it from chloro- and bromoanisole. The data obtained can be used to explain the differences in the behavior of catalysts based on hypercross-linked polystyrene in cross-coupling reactions of various aryl halides and phenylboronic acid, and also the fact that aryl iodides can favor the formation of homogeneous forms of palladium.

CuFe2O4 magnetic nanoparticle catalyzed odorless synthesis of sulfides using phenylboronic acid and aryl halides in the presence of S8

2016 ◽  
Vol 40 (9) ◽  
pp. 7522-7528 ◽  
Author(s):  
Kamran Amiri ◽  
Amin Rostami ◽  
Abed Rostami
Keyword(s):  
Magnetic Nanoparticle ◽  
Phenylboronic Acid ◽  
Aryl Halides ◽  
Ligand Free

The ligand-free synthesis of sulfides is reported in the presence of CuFe2O4 as a magnetically reusable nanocatalyst in PEG.

Water-Stabilized Three- and Four-Atom Palladium Clusters as Highly Active Catalytic Species in Ligand-Free CC Cross-Coupling Reactions

2013 ◽  
Vol 125 (44) ◽  
pp. 11768-11773 ◽  
Author(s):  
Antonio Leyva-Pérez ◽  
Judit Oliver-Meseguer ◽  
Paula Rubio-Marqués ◽  
Avelino Corma
Keyword(s):  
Cross Coupling ◽  
Coupling Reactions ◽  
Palladium Clusters ◽  
Cross Coupling Reactions ◽  
Highly Active ◽  
Ligand Free

Biosynthesis, characterization and catalytic activity of an Ag/zeolite nanocomposite for base- and ligand-free oxidative hydroxylation of phenylboronic acid and reduction of a variety of dyes at room temperature

2016 ◽  
Vol 40 (3) ◽  
pp. 2501-2513 ◽  
Author(s):  
Arezo Hatamifard ◽  
Mahmoud Nasrollahzadeh ◽  
S. Mohammad Sajadi
Keyword(s):  
Catalytic Activity ◽  
Green Synthesis ◽  
Room Temperature ◽  
Phenylboronic Acid ◽  
Catalytic Efficiency ◽  
Ligand Free

A green synthesis of an Ag/zeolite nanocomposite and its catalytic activity were investigated. Its catalytic efficiency remains unaltered even after several repeated cycles.

scholarly journals Palladium nanoparticle biosynthesis via Yerba Mate (Ilex paraguariensis) extract: an efficient eco-friendly catalyst for Suzuki–Miyaura reactions

2021 ◽  
Vol 3 (2) ◽  
Author(s):  
Cristiane R. Schmitt ◽  
Fábio A. Duarte ◽  
Marcelo Godoi ◽  
Carlos R. M. Peixoto ◽  
Fernanda Trombetta ◽  
...  
Keyword(s):  
Low Cost ◽  
Phenylboronic Acid ◽  
Cross Coupling ◽  
Ilex Paraguariensis ◽  
Yerba Mate ◽  
Palladium Nanoparticle ◽  
Ligand Free ◽  
Nanoparticle Biosynthesis ◽  
First Time ◽  
Catalyst Load

Abstract This manuscript relates, for the first time, palladium nanoparticle production by bio-reduction using an Ilex paraguariensis aqueous extract. The solid obtained, PdISM, was used as a catalyst in Suzuki–Miyaura cross-coupling, composing a new eco-friendly, ligand-free, and low cost catalytic system. Excellent yields were obtained in the coupling of aryl iodides and bromides with phenylboronic acid. The same catalyst load was able to be recycled 3x. Graphical Abstract

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