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Related Concept Videos

Oxidation and Reduction of Organic Molecules01:19

Oxidation and Reduction of Organic Molecules

Energy production within a cell involves many coordinated chemical pathways. Most of these pathways are combinations of oxidation and reduction reactions, which occur at the same time. An oxidation reaction strips an electron from an atom in a compound, and the addition of this electron to another compound is a reduction reaction. Because oxidation and reduction usually occur together, these pairs of reactions are called redox reactions.
The removal of an electron from a molecule, results in a...
Oxidation of Phenols to Quinones01:17

Oxidation of Phenols to Quinones

In the presence of oxidizing agents, phenols are oxidized to quinones. Quinones can be easily reduced back to phenols using mild reducing agents. The electron-donating hydroxyl group enhances the reactivity of the aromatic ring, enabling oxidation of the ring even in the absence of an α hydrogen.
o-hydroxy phenols are oxidized to o-quinones and p-hydroxy phenols to p-quinones. Such redox reactions involve the transfer of two electrons and two protons. The reversible redox property is crucial in...
Redox Equilibria: Overview01:23

Redox Equilibria: Overview

A reduction-oxidation reaction is commonly called a redox reaction. In a redox reaction, electrons are transferred from one species to another rather than being shared between or among atoms. The reducing agent or reductant is the species that loses electrons and gets oxidized in the process. The species that gains electrons and gets reduced in the process is the oxidizing agent or oxidant. Redox reactions are represented as two separate equations called half-reactions, where one equation...
Redox Reactions01:24

Redox Reactions

Oxidation-reduction or redox reactions involve the transfer of electrons from one molecule or atom to another. When an atom gains an electron, another atom must lose an electron, meaning oxidation and reduction must occur together. Since the redox occurs in pairs, the atom that gets oxidized is also called the reducing agent or reductant, and the atom that is reduced is also called the oxidizing agent or oxidant. A straightforward way to remember the definitions of oxidation and reduction is...
Redox Reactions01:27

Redox Reactions

Redox reactions are vital biochemical processes that underpin energy metabolism in cells. These reactions involve the transfer of electrons between molecules, occurring in tandem as oxidation and reduction. Oxidation refers to the loss of electrons, while reduction denotes their gain. This coupling ensures the seamless flow of electrons through metabolic pathways. For example, in bacterial metabolism, glucose undergoes oxidation to carbon dioxide, while oxygen is simultaneously reduced to...
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The electrode interacts with ions in the electrolyte solution at its interface. The rate of oxidation and reduction depends on the speed at which electrons can transfer through this interface. As ions attach to or leave the electrode surface, the electrode acquires a charge, and an electrical potential forms across the interface, making the process more difficult to reach equilibrium. The charge on the electrode affects the local ion concentrations in the solution, though thermal motion...

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Electroactive Polymer Nanoparticles Exhibiting Photothermal Properties
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Structural changes of Pd13 upon charging and oxidation/reduction.

J Ulises Reveles1, A M Köster, P Calaminici

  • 1Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000, USA. jureveles@vcu.edu

The Journal of Chemical Physics
|March 27, 2012
PubMed
Summary
This summary is machine-generated.

This study reveals palladium cluster structures: cationic Pd(13)(+) prefers C(s) geometry, while anionic Pd(13)(-) and neutral Pd(13)O(2) favor compact ~I(h) structures. A structural oscillation is predicted during oxidation/reduction cycles.

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Expression and Purification of Nuclease-Free Oxygen Scavenger Protocatechuate 3,4-Dioxygenase
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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Surface Science

Background:

  • Palladium clusters are crucial in catalysis.
  • Understanding their structural and electronic properties is key to designing efficient catalysts.
  • The influence of charge and oxidation state on cluster stability is not fully understood.

Purpose of the Study:

  • To investigate the structural stability of cationic, anionic, and neutral palladium oxide clusters.
  • To elucidate the electronic factors governing the preferred geometries.
  • To predict structural dynamics during redox processes.

Main Methods:

  • First-principle density functional theory (DFT) calculations.
  • Generalized Gradient Approximation (GGA) for exchange-correlation functional.
  • Analysis of electronic structure, including cluster orbitals and atomic orbital hybridization.

Main Results:

  • Cationic Pd(13)(+) adopts a C(s) geometry, similar to neutral Pd(13).
  • Anionic Pd(13)(-) and neutral Pd(13)O(2) exhibit a stable compact ~I(h) structure.
  • Electronic structure analysis highlights the role of delocalized cluster orbitals and Pd-O hybridization in stabilizing geometries.
  • A structural oscillation between C(s) and ~I(h) isomers is predicted for Pd(13) during redox cycles with low energy barriers (0.3-0.4 eV).

Conclusions:

  • The charge state significantly impacts the preferred geometry of Pd(13) clusters.
  • Oxygen incorporation in Pd(13)O(2) promotes a compact, symmetric structure.
  • Electronic structure plays a critical role in determining cluster stability and isomer ordering.
  • Pd(13) clusters are predicted to undergo reversible structural changes during oxidation and reduction, relevant for catalytic applications.