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Related Concept Videos

Catalysis02:50

Catalysis

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The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
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Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Chemical Ionization (CI) Mass Spectrometry01:21

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The molecular ion peak of a molecule in the mass spectrum provides vital information for molecular identification. However, conventional electron impact ionization can lead to the rapid dissociation of some molecular ions before they reach the detector. A milder ionization method is required to increase the lifetime of such ionized analyte molecules. Chemical ionization (CI) is a gas-phase protonation reaction useful for mass-analyzing analyte molecules that are easily protonated to yield the...
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The Aufbau Principle and Hund's Rule03:02

The Aufbau Principle and Hund's Rule

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To determine the electron configuration for any particular atom, we can build the structures in the order of atomic numbers. Beginning with hydrogen, and continuing across the periods of the periodic table, we add one proton at a time to the nucleus and one electron to the proper subshell until we have described the electron configurations of all the elements. This procedure is called the aufbau principle, from the German word aufbau (“to build up”). Each added electron occupies the...
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Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
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Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Towards atomic precision in HMF and methane oxidation electrocatalysts.

Yuxuan Zhang1, Junnan Li1, Nikolay Kornienko1

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Electrosynthesis using biomass and methane is emerging. Atomically precise catalysts are key to understanding reaction mechanisms for sustainable fuel and chemical production.

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Area of Science:

  • Sustainable Chemistry and Energy
  • Electrocatalysis
  • Catalyst Design

Background:

  • Growing demand for sustainable fuels and chemicals drives interest in electrosynthesis.
  • Electrolysis of water and CO2 is well-established, but focus is shifting to biomass and methane.
  • Electrocatalysis of biomass and methane is less mature, requiring mechanistic understanding.

Purpose of the Study:

  • To review recent advancements in electrosynthesis of biomass and methane.
  • To highlight the use of atomically precise catalysts as model systems.
  • To emphasize the need for mechanistic insights to develop competitive routes.

Main Methods:

  • Utilizing homogeneous and heterogeneous atomically precise catalysts.
  • Employing these catalysts as model systems for reaction studies.
  • Focusing on deciphering reaction mechanisms.

Main Results:

  • Demonstrated progress in understanding electrosynthetic pathways for biomass and methane.
  • Highlighted the role of precise catalyst structures in reaction control.
  • Identified fundamental insights gained from model system studies.

Conclusions:

  • Atomically precise catalysts are crucial for advancing biomass and methane electrosynthesis.
  • Further mechanistic studies are essential for economic viability.
  • This research area holds significant potential for sustainable chemical production.