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Related Concept Videos

Nitriles to Amines: LiAlH4 Reduction00:55

Nitriles to Amines: LiAlH4 Reduction

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Nitriles are reduced to amines in the presence of strong reducing agents like lithium aluminum hydride through a typical nucleophilic acyl substitution. The reaction requires two equivalents of the reducing agent. The reducing agent acts as a source of hydride ions.
As shown below, the mechanism involves three steps. Firstly, the hydride ion acting as a nucleophile attacks the nitrile carbon to form an anion. In the second step, a second equivalent of the hydride ion attacks the anion to...
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Nitriles can be reduced to primary amines using reducing agents like lithium aluminum hydride or catalytic hydrogenation. The reduction introduces an amino group with an extra carbon in the skeleton. Nitriles are formed from the reaction between alkyl halides and sodium cyanide through the SN2 mechanism. Primary alkyl halides are the preferred substrates to prepare nitriles.
Amides can be reduced to primary, secondary, and tertiary amines using catalytic hydrogenation, active metals like Fe,...
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Preparation of Amines: Reduction of Oximes and Nitro Compounds01:29

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Oximes can be reduced to primary amines using catalytic hydrogenation, hydride reduction, or sodium metal reduction. The reduction of aliphatic and aromatic nitro compounds to primary amines takes place by either catalytic hydrogenation or by using active metals like Fe, Zn, and Sn in the presence of an acid.
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1° Amines to Diazonium or Aryldiazonium Salts: Diazotization with NaNO2 Mechanism01:37

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Nitrous acid is a relatively weak and unstable acid prepared in situ by the reaction of sodium nitrite and cold, dilute hydrochloric acid. In an acidic solution, the nitrous acid undergoes protonation when it loses water to form a nitrosonium ion—an electrophile. Nitrous acid reacts with primary amines to give diazonium salts. The reaction is called diazotization of primary amines.
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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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Heterogeneous Catalysis01:22

Heterogeneous Catalysis

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Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...
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Nitrite reduction mechanism on a Pd surface.

Hyeyoung Shin1, Sungyoon Jung, Sungjun Bae

  • 1Graduate School of Energy, Environment, Water, and Sustainability (EEWS), Korea Advanced Institute of Science and Technology , 291 Daehak-ro, Yuseong-Gu, Daejeon 305-701, Korea.

Environmental Science & Technology
|October 4, 2014
PubMed
Summary
This summary is machine-generated.

To improve nitrogen gas (N2) selectivity in wastewater treatment, researchers studied nitrite (NO2-) reduction on palladium catalysts. They found that promoting N* and NO2- interaction enhances N2 production over ammonia (NH3).

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Area of Science:

  • Environmental Chemistry
  • Catalysis
  • Computational Chemistry

Background:

  • Nitrate (NO3-) is a harmful groundwater contaminant.
  • Bimetallic catalysts, especially palladium-based, are used for nitrate removal but struggle with N2 selectivity.
  • Improving N2 selectivity over ammonia (NH3) is crucial for effective wastewater treatment.

Purpose of the Study:

  • Investigate the nitrite (NO2-) reduction pathway on hydrogen-activated palladium surfaces.
  • Understand the factors influencing N2 selectivity in nitrate reduction.
  • Optimize catalytic conditions for enhanced N2 production.

Main Methods:

  • Density Functional Theory (DFT) calculations to analyze reaction energetics and intermediates.
  • Experimental studies using Pd/TiO2 catalysts for NO2- reduction.
  • Varied hydrogen flow rate and NO2- concentration to assess their impact on selectivity.

Main Results:

  • DFT revealed NO2- reduction to NO* followed by pathways to NH3 or N* and O*.
  • The direct combination of N* to N2 is kinetically unfavorable compared to NH3 formation.
  • NO2- reduction near N* can yield N2O*, favoring N2 production.
  • Experiments showed increased N2 selectivity with decreased H2 flow and increased NO2- concentration.

Conclusions:

  • Enhancing the encounter between N* and NO2- in the solution phase is key to maximizing N2 selectivity.
  • Catalyst design and reaction conditions can be tuned to favor N2 production over NH3.
  • This study provides insights into optimizing palladium-based catalysts for selective nitrate removal.