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π Molecular Orbitals of the Allyl Cation and Anion01:18

π Molecular Orbitals of the Allyl Cation and Anion

4.1K
An allyl group is a three-carbon conjugated system where the sp³-hybridized allylic carbon is bonded to a CH=CH2 group via a single bond. Allyl anions can be obtained by treating propene with a strong base that can deprotonate methyl groups. Allyl cations are formed as intermediates during substitution reactions involving allylic halides. In both cases, the hybridization of the allylic carbon changes from sp3 to sp2, giving rise to a carbon chain with three sp2-hybridized carbons, each with...
4.1K
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
π Molecular Orbitals of the Allyl Radical01:27

π Molecular Orbitals of the Allyl Radical

3.4K
Allyl radicals are three-carbon conjugated systems. They are readily formed as intermediates in halogenation reactions of alkenes involving the addition of halogen to the allylic carbon instead of the double bond. As seen in allyl cations and anions, each of the three sp2-hybridized carbon atoms in allyl radicals has an unhybridized p orbital. These orbitals combine to give three π molecular orbitals.
The allyl systems have identical molecular orbitals but differ in the number of π electrons....
3.4K
Structure and Bonding of Alkenes02:47

Structure and Bonding of Alkenes

16.0K
Olefins, which are unsaturated hydrocarbons containing one or more carbon–carbon double bonds, are broadly divided into alkenes and cycloalkenes. The general chemical formula of an alkene is CnH2n.
Doubly bonded carbons are sp2 hybridized and have a trigonal planar geometry. The double bond is composed of a σ bond formed by the overlap of hybrid orbitals and a π bond produced by the lateral overlap of unhybridized 2p orbitals on both the carbons. Each carbon atom is...
16.0K
α-Alkylation of Ketones via Enolate Ions01:10

α-Alkylation of Ketones via Enolate Ions

3.0K
Ketones with α protons are deprotonated by strong bases like lithium diisopropylamide (LDA) to form enolate ions. The anion is stabilized by resonance, and its hybrid structure exhibits negative charges on the carbonyl oxygen and the α carbon. This ambident nucleophile can attack an electrophile via two possible sites: the carbonyl oxygen, known as O-attack, or the α carbon, known as C-attack. The nucleophilic attack via the carbanionic site is preferred. This is due to the...
3.0K
Reactivity of Enolate Ions01:23

Reactivity of Enolate Ions

2.5K
Enolate ions are formed by the acid–base reaction of a carbonyl compound with a base. This leads to deprotonation of the α hydrogen atom, leading to a resonance-stabilized enolate ion where one of the contributing structures is an oxyanion, which imparts additional stability. Therefore, the proton on the α carbon is more acidic in nature than that of other sp3-hybridized C–H bonds but less acidic than those in O–H bonds where the negative charge in the conjugate...
2.5K

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Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes
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控制和预测基离子电子结构.

Frances K Towers Tompkins1, Lewis G Parker1, Richard M Fogarty2

  • 1Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk.

Chemical communications (Cambridge, England)
|September 9, 2024
PubMed
概括
此摘要是机器生成的。

研究人员使用链和中心原子调整了离子电子结构. 甲基与较长链的对比是优化催化剂和生物杀伤剂的子的关键.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学计算化学

背景情况:

  • 洋酸是多功能化学物种.
  • 调整它们的电子特性对于有针对性的应用至关重要.

研究的目的:

  • 为了研究完全化酸电子结构的可调性.
  • 确定影响这些属性的关键结构因素.

主要方法:

  • 用于电子结构分析的X射线光电子谱学 (XPS).
  • Ab initio用于理论验证的量子力学计算.

主要成果:

  • 电子结构可以通过基链长度和中央原子调节.
  • 甲基和较长的基链之间的选择显著影响了中央原子的电子状态.

结论:

  • 酸的电子结构可以精确地设计.
  • 这种可调性使得为各种应用,包括催化剂和生物制剂,可以选择最佳的离子.