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Related Concept Videos

Radical Formation: Overview01:03

Radical Formation: Overview

2.7K
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 Reactivity: Overview01:11

Radical Reactivity: Overview

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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...
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Radical Formation: Addition00:47

Radical Formation: Addition

2.4K
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...
2.4K
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals01:17

Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals

3.8K
Ideally, an unpaired electron shows a single peak in the EPR spectrum due to the transition between the two spin energy states. However, coupling interactions can occur between the spins of the unpaired electron and any neighboring spin-active nuclei. This hyperfine coupling results in hyperfine splitting, where the EPR signal is split into multiplets. The signals split into 2nI + 1 peaks, where n is the number of equivalent nuclei and I is the nuclear spin. These splitting patterns provide...
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Radical Reactivity: Steric Effects01:10

Radical Reactivity: Steric Effects

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The presence of electron-donating, electron-withdrawing, or conjugating groups adjacent to a radical center, imparts electronic stabilization to the radicals. Examples of such electronically-stabilized radicals are triphenylmethyl, tetramethylpiperidine‐N‐oxide, and 2,2‐diphenyl‐1‐picrylhydrazyl. These radicals are remarkably stable and are known as persistent radicals. Some of the persistent radicals can even be isolated and purified.
Along with electronic...
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Radical Reactivity: Nucleophilic Radicals01:16

Radical Reactivity: Nucleophilic Radicals

2.8K
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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Detection of Nitric Oxide and Superoxide Radical Anion by Electron Paramagnetic Resonance Spectroscopy from Cells using Spin Traps
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A high-spin organic diradical as a spin filter.

Suranjan Shil1, Debojit Bhattacharya, Anirban Misra

  • 1Department of Chemistry, University of North Bengal, Darjeeling, 734013, West Bengal, India.

Physical Chemistry Chemical Physics : PCCP
|August 20, 2015
PubMed
Summary
This summary is machine-generated.

This study designs a molecular bridge using a ferromagnetic diradical for spin filtering. The research evaluates spin transport characteristics in an gold-diradical-gold molecular junction, showing potential for spintronic devices.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Molecular electronics and spintronics are emerging fields.
  • Spin filters are crucial for controlling electron spin in devices.
  • Ferromagnetic molecular bridges offer potential for novel spin manipulation.

Purpose of the Study:

  • To design and investigate a molecular bridge structure for spin filtering applications.
  • To understand the electrical spin transport characteristics of a diradical-based molecular junction.
  • To evaluate spin-dependent transport properties under varying bias voltages.

Main Methods:

  • Utilized non-equilibrium Green's function (NEGF) method.
  • Employed density functional theory (DFT) for calculations.
  • Simulated a two-probe molecular bridge system (Au-diradical-Au).

Main Results:

  • Evaluated spin current across a range of bias voltages (0.00 V to 4.00 V).
  • Quantified bias-dependent spin injection coefficients (BDSIC).
  • Determined spin-filter efficiency at equilibrium (zero bias voltage).

Conclusions:

  • The designed molecular bridge exhibits potential as a spin filter.
  • Detailed analysis of spin transport properties provides insights for spintronic device design.
  • The study contributes to the understanding of spin manipulation at the molecular level.