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Updated: Sep 18, 2025

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
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Published on: October 18, 2018

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基准测试密度函数用于有机光电氧催化剂的地面和激发状态的减氧和氧化潜力

Leticia A Gomes1, Steven A Lopez1

  • 1Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115, United States.

The journal of physical chemistry. A
|June 25, 2025
PubMed
概括

这项研究对密度函数理论方法进行了基准测试,用于计算光电氧催化剂的氧化还原潜力. 它确定了最佳的计算模型来预测激发状态潜力,帮助催化剂设计.

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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.
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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...
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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...
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