scholarly journals Spectroscopic Evidence for the Involvement of a Radical Intermediate in the Friedel-Crafts Benzylation Using Ion-Exchanged K10 Catalysts

2018 ◽  
Vol 62 (4) ◽  
Author(s):  
Zoltán Hell ◽  
László Korecz ◽  
Sándor Békássy
Keyword(s):  
Reaction Mechanism ◽  
Aromatic Hydrocarbons ◽  
Benzyl Chloride ◽  
Reaction Path ◽  
Initial Step ◽  
Ionic Mechanism ◽  
Radical Intermediate ◽  
Radical Species ◽  
Spectroscopic Evidence ◽  
Ionic Reaction

For Friedel-Crafts alkylation of aromatic hydrocarbons an ionic reaction path is considered as classical reaction mechanism. The alkylation with benzyl chloride in the presence of ion-exchanged K10 montmorillonite catalysts containing multivalent, reducible cations had an outstanding activity, therefore a radical initial step as a supplement to the ionic mechanism was proposed earlier. We made ESR investigations to clarify the existence and the nature of the suggested radical species. The ESR experiments verified that the reaction involves a radical step.

scholarly journals Molecular simulation on mechanism of thiophene hydrodesulfurization on surface of Ni2P

2021 ◽  
pp. 014459872199495
Author(s):  
Songjian Du ◽  
Tingting Li ◽  
Xinwei Wang ◽  
Liqiang Zhang ◽  
Zhengda Yang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Reaction Mechanism ◽  
Heavy Oil ◽  
Density Functional ◽  
Reaction Path ◽  
Functional Theory ◽  
Thiophene Hydrodesulfurization ◽  
Cracking Reaction ◽  
Materials Studio ◽  
Optimal Reaction

Hydrodesulfurization reaction, as the last step of hydrothermal cracking reaction, is of great significance for the reduction of viscosity and desulfurization of heavy oil. Based on Density Functional Theory and using Dmol3 module of Materials Studio, this research simulated the adsorption and hydrodesulfurization of thiophene on Ni2P (001) surface, and discussed the hydrodesulfurization reaction mechanism of thiophene on Ni2P (001) surface. It was found that the direct hydrodesulfurization of thiophene had more advantages than the indirect hydrodesulfurization of thiophene. Finally, the optimal reaction path was determined: C4H4S+H2→C4H6.

ÉTARD REACTION: III. NATURE OF THE COMPLEX

1960 ◽  
Vol 38 (11) ◽  
pp. 2136-2142 ◽  
Author(s):  
Owen H. Wheeler
Keyword(s):  
Magnetic Susceptibility ◽  
Reaction Mechanism ◽  
Chloride Complex ◽  
Initial Formation ◽  
Spectroscopic Evidence ◽  
Chromyl Chloride ◽  
Π Complex ◽  
Products Of Reaction

Magnetic susceptibility measurements have shown that the chromium atoms in the toluene–chromyl chloride complex are tetravalent. The structure of the complex and the reaction mechanism are discussed. Spectroscopic evidence has been found of the initial formation of a π-complex. The products of reaction of chromyl chloride and ethylbenzene, isopropylbenzene, tetralin, and indane have been determined.

scholarly journals Generation of reactive cobalt oxo oxamate radical species for biomimetic oxidation of contaminants

RSC Advances ◽  
2017 ◽  
Vol 7 (68) ◽  
pp. 42875-42883 ◽  
Author(s):  
Nan Li ◽  
Yun Zheng ◽  
Xuemei Jiang ◽  
Ran Zhang ◽  
Wenxing Chen
Keyword(s):  
Radical Intermediate ◽  
Radical Species ◽  
Biomimetic Oxidation ◽  
Esi Ms

Bio-inspired formation of [CoIVO˙]− species: cobalt oxo radical intermediate was directly observed in ESI-MS.

Reaction mechanism of 1,2-hydrogen migration of hydrogen peroxide

1990 ◽  
Vol 68 (5) ◽  
pp. 666-673 ◽  
Author(s):  
Enric Bosch ◽  
José M. Lluch ◽  
Juan Bertrán
Keyword(s):  
Hydrogen Peroxide ◽  
Reaction Mechanism ◽  
Water Molecule ◽  
Energy Barrier ◽  
Electron Distribution ◽  
Reaction Path ◽  
Bifunctional Catalyst ◽  
Reaction Coordinate ◽  
Intrinsic Reaction Coordinate ◽  
Hydrogen Migration

The 1,2-hydrogen migration of hydrogen peroxide has been investigated by abinitio methods and the Intrinsic Reaction Coordinate (IRC) has been constructed. An analysis of the evolution of the electron distribution along the reaction path has shown that the shifting hydrogen behaves as a proton. This transferring proton polarizes the O—O bond of the hydrogen peroxide that becomes broken at the transition state. If a water molecule is allowed to participate in the reaction, the energy barrier is noticeably lowered, this water molecule acting as a bifunctional catalyst. Keywords: 1,2-hydrogen migration, hydrogen peroxide, proton transfer, bifunctional catalyst, Intrinsic Reaction Coordinate.

ChemInform Abstract: Conversion of Light Alkanes into Aromatic Hydrocarbons. Part 6. Aromatization of C2-C4 Alkanes on H-ZSM-5. Reaction Mechanism.

ChemInform ◽  
2010 ◽  
Vol 23 (48) ◽  
pp. no-no
Author(s):  
M. GUISNET ◽  
N. S. GNEP ◽  
D. AITTALEB ◽  
Y. J. DOYEMET
Keyword(s):  
Reaction Mechanism ◽  
Aromatic Hydrocarbons ◽  
Light Alkanes

Direct Spectroscopic Evidence for Ionized Polycyclic Aromatic Hydrocarbons in the Interstellar Medium

1999 ◽  
Vol 513 (1) ◽  
pp. L65-L68 ◽  
Author(s):  
G. C. Sloan ◽  
T. L. Hayward ◽  
L. J. Allamandola ◽  
J. D. Bregman ◽  
B. DeVito ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Interstellar Medium ◽  
Aromatic Hydrocarbons ◽  
Spectroscopic Evidence ◽  
Polycyclic Aromatic

scholarly journals Binary Phase Chlorination of Aromatic Hydrocarbons with Solid Copper(II) Chloride: Reaction Mechanism

1979 ◽  
Vol 52 (12) ◽  
pp. 3586-3591 ◽  
Author(s):  
Iwao Tanimoto ◽  
Keiko Kushioka ◽  
Toyokichi Kitagawa ◽  
Kazuhiro Maruyama
Keyword(s):  
Reaction Mechanism ◽  
Aromatic Hydrocarbons ◽  
Binary Phase ◽  
Solid Copper

A substrate-cofactor free radical intermediate in the reaction mechanism of copper amine oxidase

Biochemistry ◽  
1992 ◽  
Vol 31 (1) ◽  
pp. 8-12 ◽  
Author(s):  
Jens Z. Pedersen ◽  
Said El-Sherbini ◽  
Alessandro Finazzi-Agro ◽  
Giuseppe Rotilio
Keyword(s):  
Free Radical ◽  
Reaction Mechanism ◽  
Amine Oxidase ◽  
Radical Intermediate ◽  
Copper Amine Oxidase ◽  
Free Radical Intermediate ◽  
Copper Amine
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