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Hydroboration-Oxidation of Alkenes03:08

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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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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.
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A significant aspect of hydroboration–oxidation is the regio- and stereochemical outcome of the reaction.
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
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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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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...
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sp3d and sp3d 2 Hybridization
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Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials
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在酸中,结构稳定性,二结合和压力诱导的多态变化在酸中.

Rongfeng Guan1,2, Pan Wang1, Yujin Ji2

  • 1Department of Chemistry, The University of Western Ontario, London, Ontario, N6A 5B7, Canada. yang.song@uwo.ca.

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概括

氨酸 (N2H4BH3) 在结构上保持稳定,最高可达15 GPa. 在15GPa以上发生两相过渡,由压力诱导的二结合的变化驱动,这对于储存应用至关重要.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 固态化学 固态化学
  • 高压物理 高压物理

背景情况:

  • 酸 (N2H4BH3) 是一个有前途的固态存材料,由于其高含量和简单的合成.
  • 了解其在压力下的行为对于优化储能应用至关重要.

研究的目的:

  • 为了研究高达30 GPa的化 (N2H4BH3) 的压力诱导相变.
  • 为了阐明高压下N2H4BH3的结构稳定性和粘合性.

主要方法:

  • 振动光谱学是一种振动光谱法.
  • 在X射线中,X射线的衍射效果是不同的.
  • 密度函数理论 (DFT) 的计算.

主要成果:

  • 氨酸 (N2H4BH3) 显示出高达15GPa的显著结构稳定性.
  • 观察到两个相变:从Pbcn到Pbca接近15GPa,以及从Pbca到Pccn接近25GPa.
  • DFT的计算显示,二结合的演变,压缩性和度的变化驱动了这些相位过渡.

结论:

  • 这项研究提供了关于酸 (N2H4BH3) 高压行为的关键见解.
  • 已识别的相位转换及其潜在机制对于N2H4BH3作为储材料的发展至关重要.