Role of electron transfer in gas-phase ligand-switching reactions

1991 ◽  
Vol 10 (4) ◽  
pp. 1089-1094 ◽  
Author(s):  
Steven L. VanOrden ◽  
R. Marshall. Pope ◽  
Steven W. Buckner
Keyword(s):  
Electron Transfer ◽  
Gas Phase

scholarly journals Is Aromatic Nitration Spin Density Driven?

Chemistry ◽  
2021 ◽  
Vol 3 (4) ◽  
pp. 1286-1301
Author(s):  
Amedeo Capobianco ◽  
Alessandro Landi ◽  
Andrea Peluso
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Radical Pair ◽  
Theoretical Data ◽  
Point Of View ◽  
Positional Selectivity ◽  
Solvent Polarization ◽  
Quantum Chemical Computations ◽  
Aromatic Nitration

The mechanism of aromatic nitration is critically reviewed with particular emphasis on the paradox of the high positional selectivity of substitution in spite of low substrate selectivity. Early quantum chemical computations in the gas phase have suggested that the retention of positional selectivity at encounter-limited rates could be ascribed to the formation of a radical pair via an electron transfer step occurring before the formation of the Wheland intermediate, but calculations which account for the effects of solvent polarization and the presence of counterion do not support that point of view. Here we report a brief survey of the available experimental and theoretical data, adding a few more computations for better clarifying the role of electron transfer for regioselectivity.

scholarly journals Dissociative Attachment Studies of Halogen-containing Molecules: Problems, Applications and Challenges

1996 ◽  
Vol 49 (2) ◽  
pp. 403 ◽  
Author(s):  
PD Burrow ◽  
GA Gallup ◽  
II Fabrikant ◽  
KD Jordan
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Cross Sections ◽  
Halogen Atom ◽  
Intramolecular Electron Transfer ◽  
Dissociative Attachment ◽  
Molecular Physics ◽  
The Cross ◽  
Atomic And Molecular Physics

The dissociative attachment (DA) process appears in a surprisingly diverse number of research disciplines. Although gas phase studies have been carried out for approximately 30 years, there are no calculations of the cross sections for this process in molecules larger than diatomics. In this presentation, we review briefly the role of DA in several contexts generally unfamiliar to workers in atomic and molecular physics, and touch on some of the theoretical difficulties. We continue with a discussion of our work, both experimental and theoretical, on compounds containing a single halogen atom and conclude with results showing how the DA process can be used to study intramolecular electron transfer.

scholarly journals Conversion of Methanol on Rutile TiO2 (110) and Tungsten Oxide Clusters: 2. The Role of Defects and Electron Transfer in Bifunctional Oxidic Photocatalysts

2021 ◽  
Author(s):  
Lars Mohrhusen ◽  
Jessica Kräuter ◽  
Katharina Al-Shamery
Keyword(s):  
Electron Transfer ◽  
Transition Metal ◽  
Metal Oxide ◽  
Tungsten Oxide ◽  
Organic Compounds ◽  
Uv Irradiation ◽  
Organic P ◽  
Rutile Tio2 ◽  
Metal Oxide Surfaces

The photochemical conversion of organic compounds on tailored transition metal oxide surfaces by (UV) irradiation has found wide applications ranging from the production of chemicals to the degradation of organic...

Improving peroxymonosulfate activation by copper ion-saturated adsorbent-based single atom catalysts for the degradation of organic contaminants: electron-transfer mechanism and the key role of Cu single atoms

2021 ◽  
Author(s):  
Jingwen Pan ◽  
Baoyu Gao ◽  
Pijun Duan ◽  
Kangying Guo ◽  
Muhammad Akram ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Organic Contaminants ◽  
High Salinity ◽  
Copper Ion ◽  
Single Atom ◽  
Electron Transfer Mechanism ◽  
Persulfate Oxidation ◽  
Single Atoms ◽  
Oxidation Technology

Nonradical pathway-based persulfate oxidation technology is considered to be a promising method for high-salinity organic wastewater treatment.

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