Thermochemistry and Reaction Paths in the Oxidation Reaction of Benzoyl Radical: C6H5C•(═O)

2011 ◽  
Vol 115 (42) ◽  
pp. 11897-11914 ◽  
Author(s):  
Nadia Sebbar ◽  
Joseph W. Bozzelli ◽  
Henning Bockhorn
Keyword(s):  
Oxidation Reaction ◽  
Reaction Paths ◽  
Benzoyl Radical

scholarly journals The quantum-chemical basis of the catalytic reactivity of transition metals

1992 ◽  
Vol 341 (1661) ◽  
pp. 269-282 ◽  
Keyword(s):  
Quantum Chemical ◽  
Oxidation Reaction ◽  
Active Sites ◽  
State Of The Art ◽  
Reaction Paths ◽  
Chemical Methods ◽  
Quantum Chemical Methods ◽  
Co Dissociation ◽  
Catalytically Active ◽  
Catalytic Reactivity

State of the art computational quantum-chemical methods enable the modelling of catalytically active sites with an accuracy of relevance to chemical predictability. This opens the possibility to predict reaction paths of elementary reaction steps on catalytically active surfaces. The results of such an approach are illustrated for a few dissociation and association reactions as they occur on transition metal surfaces. Examples to be given concern CO dissociation, carbon-carbon coupling and NH 3 oxidation. Reaction paths appear to be controlled by the principle of minimum surface atom sharing.

scholarly journals DFT Study of Oxidation Reaction Paths for Ethanol Gasoline

2020 ◽  
Vol 9 (1) ◽  
pp. 39
Author(s):  
Li Na ◽  
Han Lu ◽  
Guo Xin ◽  
Tao Zhiping ◽  
Long Jun
Keyword(s):  
Oxidation Reaction ◽  
Dft Study ◽  
Reaction Paths

Scanning Electron Microscope Study of Bacteria on Mineral Surfaces

1976 ◽  
Vol 34 ◽  
pp. 130-131
Author(s):  
V.K. Berry
Keyword(s):  
Oxidation Reaction ◽  
Electron Microscope Study ◽  
Elemental Sulfur ◽  
Thiobacillus Ferrooxidans ◽  
Physical Contact ◽  
Metal Sulfides ◽  
Low Grade ◽  
Mineral Surfaces ◽  
Mineral Surface ◽  
Scanning Electron Microscope Study

There are two strains of bacteria viz. Thiobacillus thiooxidansand Thiobacillus ferrooxidanswidely mentioned to play an important role in the leaching process of low-grade ores. Another strain used in this study is a thermophile and is designated Caldariella .These microorganisms are acidophilic chemosynthetic aerobic autotrophs and are capable of oxidizing many metal sulfides and elemental sulfur to sulfates and Fe2+ to Fe3+. The necessity of physical contact or attachment by bacteria to mineral surfaces during oxidation reaction has not been fairly established so far. Temple and Koehler reported that during oxidation of marcasite T. thiooxidanswere found concentrated on mineral surface. Schaeffer, et al. demonstrated that physical contact or attachment is essential for oxidation of sulfur.

NANOELECTROCATALYSTS BASED PALLADIUM FOR FUEL CELLS WITH DIRECT OXIDATION OF FORMIC ACID

2019 ◽  
Vol 6 (3) ◽  
pp. 104-107
Author(s):  
Marina Vladimirovna Lebedeva ◽  
Alexey Petrovich Antropov ◽  
Alexander Victorovich Ragutkin ◽  
Nicolay Andreevich Yashtulov
Keyword(s):  
Formic Acid ◽  
Palladium Nanoparticles ◽  
Oxidation Reaction ◽  
Electrode Materials ◽  
Formic Acid Oxidation ◽  
Energy Sources ◽  
Acid Oxidation ◽  
Direct Oxidation ◽  
Atomic Force ◽  
Formic Acid Oxidation Reaction

In paper electrode materials with palladium nanoparticles on polymer matrix substrates for energy sources have been formed. Nanocomposites were investigated by atomic force and scanning electron microscopy. The catalytic activity of formed electrodes in the formic acid oxidation reaction was evaluated by voltammetry method.

Impact Of Synthesis Route on the Water Oxidation Kinetics of Hematite Photoanodes

2020 ◽  
Author(s):  
Camilo A. Mesa ◽  
Ludmilla Steier ◽  
Benjamin Moss ◽  
Laia Francàs ◽  
James E. Thorne ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Reaction Kinetics ◽  
Water Oxidation ◽  
Oxidation Kinetics ◽  
Oxidation Reaction ◽  
Charge Accumulation ◽  
Optical Signals ◽  
Current Voltage ◽  
Voltage Performance ◽  
Kinetics Of

<p><i>Operando</i> spectroelectrochemical analysis is used to determine the water oxidation reaction kinetics for hematite photoanodes prepared using four different synthetic procedures. Whilst these photoanodes exhibit very different current / voltage performance, their underlying water oxidation kinetics are found to be almost invariant. Lower photoanode performance was found to correlate with the observation of optical signals indicative of charge accumulation in mid-gap oxygen vacancy states, indicating these states do not contribute directly to water oxidation.</p>

The Synthesis of New Selenium-containing Heterocycles by the Oxidation Reaction of 2,4-Diaryltetrahydro-4H-selenochromenes

2020 ◽  
Vol 24 (15) ◽  
pp. 1663-1668
Author(s):  
Dmitriy Yurievich Direnko ◽  
Boris Ivanovich Drevko ◽  
Yaroslav Borisovich Drevko
Keyword(s):  
Nucleophilic Substitution ◽  
Chlorine Atom ◽  
Oxidation Reaction ◽  
Heterocyclic Fragment ◽  
Oxidative Aromatization

We have explored the reactions of tetrahydro-4H-selenochromenes in the presence of phosphoric pentachloride, and synthesized new condensate aroylbenzoselenophenes. During the reactions, tetrahydro-4H-selenochromenes with phosphoric pentachloride underwent oxidative aromatization and nucleophilic substitution for a chlorine atom of one of the protons in the alicyclic fragment. Also, the narrowing of the heterocyclic fragment occurred as in synthesized selenium-containing compounds earlier transformed into the corresponding condensate aroylbenzoselenophenes.

Efficient Alcohol Oxidation Reaction Catalyzed by a Cobalt (II) and an Iron (III) Complexes Containing DPEPhos Ligand using H2O2 as Oxidant

2014 ◽  
Vol 11 (9) ◽  
pp. 671-676 ◽  
Author(s):  
Debojeet Sahu ◽  
Biplab Banik ◽  
Malabika Borah ◽  
Pankaj Das
Keyword(s):  
Oxidation Reaction ◽  
Alcohol Oxidation

Green Application of Phase-Transfer Catalysis in Oxidation: A Comprehensive Review

2020 ◽  
Vol 17 (4) ◽  
pp. 405-411
Author(s):  
Chuan-Hui Wang ◽  
Chen-Fu Liu ◽  
Guo-Wu Rao
Keyword(s):  
Organic Chemistry ◽  
Green Chemistry ◽  
Oxidation Reaction ◽  
Phase Transfer Catalysis ◽  
Phase Transfer ◽  
Important Application ◽  
Oxidation Reactions ◽  
Comprehensive Review ◽  
Phase Transfer Catalysts ◽  
Onium Salts

Oxidation reactions have emerged as one of the most versatile tools in organic chemistry. Various onium salts such as ammonium, phosphonium, arsonium, bismuthonium, tellurium have been used as phase transfer catalysts in many oxidation reactions. Certainly, considerable catalysts have been widely used in Phase-Transfer Catalysis (PTC). This review focuses on the application of PTC in various oxidation reaction. Furthermore, PTC also conforms to the concept of “Green Chemistry”. <p></p> • Oxidation has become one of the most widely used tools in organic chemistry and phase transfer catalysts has been widely used in oxidation. <p></p> • The application of phase transfer catalysts in oxidation reaction will be summarized. <p></p> • Phase transfer catalysts have important application in various oxidation reaction.

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