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相关概念视频

Electrophilic Addition to Alkynes: Halogenation02:38

Electrophilic Addition to Alkynes: Halogenation

8.2K
Introduction
Halogenation is another class of electrophilic addition reactions where a halogen molecule gets added across a π bond. In alkynes, the presence of two π bonds allows for the addition of two equivalents of halogens (bromine or chlorine). The addition of the first halogen molecule forms a trans-dihaloalkene as the major product and the cis isomer as the minor product. Subsequent addition of the second equivalent yields the tetrahalide.
8.2K
Halogenation of Alkenes02:46

Halogenation of Alkenes

15.7K
Halogenation is the addition of chlorine or bromine across the double bond in an alkene to yield a vicinal dihalide. The reaction occurs in the presence of inert and non-nucleophilic solvents, such as methylene chloride, chloroform, or carbon tetrachloride.
Consider the bromination of cyclopentene. Molecular bromine is polarized in the proximity of the π electrons of cyclopentene. An electrophilic bromine atom adds across the double bond, forming a cyclic bromonium ion intermediate.
15.7K
Alkyl Halides02:45

Alkyl Halides

16.7K
Structural Properties
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...
16.7K
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

47.1K
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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Exceptions to the Octet Rule02:55

Exceptions to the Octet Rule

28.3K
Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
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Hydroboration-Oxidation of Alkenes03:08

Hydroboration-Oxidation of Alkenes

8.3K
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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Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions
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基于的多环超化合物

Ambrish Kumar Srivastava1

  • 1Department of Physics, Deen Dayal Upadhyaya Gorakhpur University, Gorakhpur, Uttar Pradesh 223009, India.

The journal of physical chemistry. A
|November 30, 2023
PubMed
概括
此摘要是机器生成的。

研究人员探索了 (BO) 替代的多环碳化合物作为潜在的超素. 这些新的基多环超素比它们的蓝类型具有更高的电子亲和力和垂直脱离能量.

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科学领域:

  • 计算化学的计算化学
  • 材料科学 材料科学 材料科学
  • 量子化学 是一个量子化学.

背景情况:

  • 超性是由高电子亲和力 (EA) 在激素或垂直脱离能 (VDE) 在离子与素/化物相比定义的.
  • 之前的工作证明了多环超素 (PSs) 通过替代多环碳化合物 (PHs) 中的基 (CN) 组,并指出了超性和芳香性之间的联系.
  • (BO) 基是CN基的异电子和无机类型,促使人们研究它们在制造超素方面的潜力.

研究的目的:

  • 调查多环碳化合物 (PH) 中替代 (BO) 基的潜力,以创建新的多环超素 (PS).
  • 为了比较BO基PSs的超素特性与现有的化物 (CN) 基PSs.
  • 探索这些新的BO替代系统中芳香性和超性之间的关系.

主要方法:

  • 密度函数理论 (DFT) 的计算被用来研究BO替代PHs的电子特性.
  • 计算包括确定阳离子的垂直分离能量 (VDEs) 和激素的电子亲和力 (EAs).
  • 对BO和CN替代的多环系统进行了结构和芳香度分析.

主要成果:

  • 替代BO的C5H5-离子 (C5H5- (BO) n-) 对n ≥3具有超素特性,与它们的CN类似物相似.
  • 与基于CN的系统不同,基于BO的离子的超性与它们的芳香度没有直接相关.
  • 与其基于CN的对应物相比,BO替代的多环离子显示出明显更高的VDE,它们的基因显示出更高的EA (超过5 eV),尽管芳香度降低.

结论:

  • 已经提出了一种新的基多环超素的新类.
  • 这些基于BO的超素与基于CN的超素相比,提供了增强的电子特性 (VDE和EA).
  • 这些发现表明,合成化学家和实验人员有可能探索这些新的基超离子.