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Related Concept Videos

Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide02:44

Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide

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Alkenes are converted to 1,2-diols or glycols through a process called dihydroxylation. It involves the addition of two hydroxyl groups across the double bond with two different stereochemical approaches, namely anti and syn. Dihydroxylation using osmium tetroxide progresses with syn stereochemistry.
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Radical Oxidation of Allylic and Benzylic Alcohols01:21

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Activated manganese(IV) oxide can selectively oxidize allylic and benzylic alcohols via a radical intermediate mechanism. Primary allylic alcohols are oxidized to aldehydes, while secondary allylic alcohols yield ketones. The redox reaction of potassium permanganate with an Mn(II) salt such as manganese sulfate (under either alkaline or acidic conditions), followed by thorough drying, yields the oxidizing agent: activated MnO2. While MnO2 is insoluble in the solvents used for the reaction, the...
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Oxymercuration-Reduction of Alkenes02:36

Oxymercuration-Reduction of Alkenes

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Oxymercuration–reduction of alkenes is one of the major reactions converting alkenes to alcohols. It involves the hydration of alkenes with mercuric acetate in a mixture of tetrahydrofuran and water, forming an organomercury adduct. This is followed by a demercuration step in which the adduct is reduced to an alcohol using sodium borohydride.
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Oxidative Cleavage of Alkenes: Ozonolysis01:46

Oxidative Cleavage of Alkenes: Ozonolysis

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In ozonolysis, ozone is used to cleave a carbon–carbon double bond to form aldehydes and ketones, or carboxylic acids, depending on the work-up.
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Radical Anti-Markovnikov Addition to Alkenes: Mechanism01:17

Radical Anti-Markovnikov Addition to Alkenes: Mechanism

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The reaction of hydrogen bromide with alkenes in the presence of hydroperoxides or peroxides proceeds via anti-Markovnikov addition. The radical chain reaction comprises initiation, propagation, and termination steps.
The mechanism starts with chain initiation, which involves two steps. In the first chain initiation step, a weak peroxide bond is homolytically cleaved upon mild heating to form two alkoxy radicals. In the second initiation step, a hydrogen atom is abstracted by the alkoxy...
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Hydroboration-Oxidation of Alkenes03:08

Hydroboration-Oxidation of Alkenes

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In addition to the oxymercuration–demercuration method, which converts the alkenes to alcohols with Markovnikov orientation, a complementary hydroboration-oxidation method yields the anti-Markovnikov product. The hydroboration reaction, discovered in 1959 by H.C. Brown, involves the addition of a B–H bond of borane to an alkene giving an organoborane intermediate. The oxidation of this intermediate with basic hydrogen peroxide forms an alcohol.
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Application of Elemental Lanthanides in the Selective C-F Activation of Trifluoromethylated Benzofulvenes Providing Access to Various Difluoroalkenes
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Methane Activation by [AlFeO3 ]+ : the Hidden Spin Selectivity.

Linghui Yan1,2, BoWei Yuan1,2, Chao Qian1,2

  • 1College of Chemical and Biological Engineering, Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture Technology, Zhejiang University, 310027, Hangzhou, P. R. China.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|October 10, 2023
PubMed
Summary

This study reveals that the aluminum-iron oxide cluster [AlFeO3]+ exhibits distinct methane activation pathways depending on its electronic state. This finding could inform the development of new catalysts for methane conversion.

Keywords:
aluminum oxidedoping effectexternal electric fieldmethane activationspin-selective

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Area of Science:

  • Computational Chemistry
  • Catalysis
  • Materials Science

Background:

  • Methane activation is crucial for energy applications.
  • Heteronuclear clusters offer tunable catalytic properties.
  • Understanding reaction mechanisms at the molecular level is key for catalyst design.

Purpose of the Study:

  • To investigate the methane activation performance of the heteronuclear cluster [AlFeO3]+.
  • To explore the influence of electronic states and external electric fields on reactivity and selectivity.
  • To elucidate the doping effect of iron in catalytic methane conversion.

Main Methods:

  • High-level quantum chemical calculations.
  • Gas-phase experimental studies.
  • Analysis of electronic origins of reactivity.

Main Results:

  • [AlFeO3]+ exists as a mixture of 7[AlFeO3]+ and 5[AlFeO3]+ at room temperature.
  • The 7[AlFeO3]+ state selectively activates methane to produce hydrogen.
  • The 5[AlFeO3]+ state converts methane to formaldehyde, demonstrating higher reactivity.
  • External electric fields can modulate the cluster's reactivity and product selectivity.

Conclusions:

  • The electronic state of [AlFeO3]+ significantly dictates its methane activation pathway and product outcome.
  • Iron doping in such clusters influences catalytic behavior.
  • These findings provide insights for designing novel iron-based catalysts for efficient methane conversion.