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Reduction of Alkenes: Catalytic Hydrogenation

Reduction of Alkenes: Catalytic Hydrogenation

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...

Stability of Conjugated Dienes

Stability of Conjugated Dienes

Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.

Hydrogen Bonds

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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...

Hybridization of Atomic Orbitals II

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization

Chair Conformation of Cyclohexane

Chair Conformation of Cyclohexane

The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this...

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Updated: May 23, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

通过平面超坐标团的可逆储存.

Kangkan Sarmah¹, Ankur K Guha¹

¹Advanced Computational Chemistry Center, Cotton University, Guwahati, India.

Journal of computational chemistry

|March 10, 2025

概括

此摘要是机器生成的。

装饰的超协调气集群显示了可逆气储存的潜力. 这些材料具有高的重力密度,这使得它们对未来的能源应用具有前景.

关键词:

储存的储存的储存.过度协调的气装饰的集群装饰了.这是理论上的理论.

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Published on: March 10, 2023

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Last Updated: May 23, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials

Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials

Published on: May 15, 2015

Hydrogen Production and Utilization in a Membrane Reactor

Hydrogen Production and Utilization in a Membrane Reactor

Published on: March 10, 2023

科学领域:

材料科学材料科学材料科学
计算化学计算化学
储能储能储能储能储能储能

背景情况:

储存对于清洁能源技术至关重要.
开发具有高容量和可逆性的材料是一个关键的挑战.
平面超坐标结构提供了独特的电子特性.

研究的目的:

研究装饰的平面高坐标团作为储存材料.
使用计算方法评估它们的存储容量和可逆性.

主要方法:

使用密度函数理论 (DFT) 的计算.
用拓分析来理解团相互作用.
波恩-奥本海默分子动力学 (BOMD) 模拟评估了可逆性.

主要成果:

对于四坐标星团和五坐标星团,分别达到50.3%和46.4%的高重力密度.
DFT和拓学研究证实了分子相互作用.
在BOMD模拟中,在各种温度下证明了可逆的吸附.

结论:

装饰的平面高坐标星团是可逆存储的有希望的候选者.
研究的材料对实际的储应用具有有利的性能.