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Related Concept Videos

Radical Formation: Overview01:03

Radical Formation: Overview

1.9K
A bond can be broken either by heterolytic bond cleavage to form ions or homolytic bond cleavage to yield radicals. A fishhook arrow is used to represent the motion of a single electron in homolytic bond cleavage. There are two main sources from which radicals can be formed:
Radicals from spin-paired molecules:
Radicals can be obtained from spin-paired molecules either by homolysis or electron transfer. While two radicals are formed in the former, an electron is added in the...
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Radical Formation: Homolysis00:54

Radical Formation: Homolysis

3.6K
A bond is formed between two atoms by sharing two electrons. When this bond is broken by supplying sufficient energy, either two electrons can be taken up by one atom forming ions by the cleavage called heterolysis, or the two electrons are shared by two atoms, with one each creating radicals by the cleavage called homolysis.
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Radical Formation: Addition00:47

Radical Formation: Addition

1.6K
Radicals can be formed by adding a radical to a spin-paired molecule. This is typically observed with unsaturated species, where the addition of a radical across the π bond leads to the production of a new radical by dissolving the π bond. For example, the addition of a Br radical to an alkene yields a carbon-centered radical.
Similar to charge conservation in chemical reactions, spin conservation is implicit for radical reactions. Accordingly, the product formed must possess an...
1.6K
Radical Reactivity: Overview01:11

Radical Reactivity: Overview

2.2K
Radicals, the highly reactive species, gain stability by undergoing three different reactions. The first reaction involves a radical-radical coupling, in which a radical combines with another radical, forming a spin‐paired molecule. The second reaction is between a radical and a spin‐paired molecule, generating a new radical and a new spin‐paired molecule. The third reaction is radical decomposition in a unimolecular reaction, forming a new radical and a spin‐paired...
2.2K
Radical Reactivity: Electrophilic Radicals01:02

Radical Reactivity: Electrophilic Radicals

1.6K
Radicals adjacent to electron‐withdrawing groups are called electrophilic radicals. These radicals readily react with nucleophilic alkenes. For example, the malonate radical, in which the radical center is flanked by two electron‐withdrawing groups, reacts readily with butyl vinyl ether, which consists of an electron‐donating oxygen substituent. The reaction between electrophilic malonate radical and nucleophilic vinyl ether is favored because the radical has a...
1.6K
Radical Reactivity: Nucleophilic Radicals01:16

Radical Reactivity: Nucleophilic Radicals

1.7K
Radicals adjacent to electron-donating groups are called nucleophilic radicals. These radicals readily react with electrophilic alkenes. The SOMO–LUMO interactions are the driving force for the reaction, where the high-energy SOMO of the electron-rich, nucleophilic radicals interacts with the low-energy LUMO of the electron-deficient, electrophilic alkenes. Such SOMO–LUMO interactions are the basis of reactive radical traps, affecting the selectivity in radical reactions. For...
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Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow
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Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow

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Interaction between OH radical and the water interface.

Shiyu Du1, Joseph S Francisco

  • 1Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-1393, USA.

The Journal of Physical Chemistry. A
|May 6, 2008
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Summary
This summary is machine-generated.

This study models water droplets to investigate hydroxyl (OH) radical interactions. Results show OH radicals compete for surface and internal water cage sites, differing from previous hydroperoxyl (HO2) radical findings.

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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Area of Science:

  • Physical Chemistry
  • Atmospheric Chemistry
  • Computational Chemistry

Background:

  • Water droplets are crucial in atmospheric chemistry.
  • Understanding radical interactions with water is vital for atmospheric modeling.
  • Previous studies focused on hydroperoxyl (HO2) radical interactions with water clusters.

Purpose of the Study:

  • To theoretically investigate the interaction of hydroxyl (OH) radicals with water clusters of varying sizes ((H2O)20, (H2O)24, (H2O)28).
  • To model water droplets using these clusters to understand OH radical behavior.
  • To compare the interaction of OH radicals with water clusters to that of HO2 radicals.

Main Methods:

  • Theoretical study utilizing computational chemistry methods.
  • Modeling of water clusters ((H2O)n, n=20, 24, 28) as a proxy for water droplets.
  • Natural Bond Orbital (NBO) analysis to examine bonding features.

Main Results:

  • Hydroxyl (OH) radicals exhibit competition between surface trapping and encapsulation within the water cluster.
  • This behavior contrasts with previously observed interactions of hydroperoxyl (HO2) radicals with water clusters.
  • NBO analysis provides insights into the bonding characteristics influencing OH radical behavior.

Conclusions:

  • The interaction dynamics of OH radicals with water clusters differ significantly from HO2 radicals.
  • Water cluster size influences the partitioning of OH radicals between surface and internal sites.
  • Computational modeling with NBO analysis is effective for elucidating radical-water interactions.