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相关概念视频

Bond Polarity, Dipole Moment, and Percent Ionic Character02:48

Bond Polarity, Dipole Moment, and Percent Ionic Character

Bond Polarity
π Molecular Orbitals of 1,3-Butadiene01:24

π Molecular Orbitals of 1,3-Butadiene

Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0, resulting in...
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as annulenes. In...
Induced Electric Dipoles01:29

Induced Electric Dipoles

A permanent electric dipole orients itself along an external electric field. This rotation can be quantified by defining the potential energy because the external torque does work in rotating it. Then, the potential energy is minimum at the parallel configuration and maximum at the antiparallel configuration. While the former is a stable equilibrium, the latter is an unstable equilibrium.
Since the absolute value of potential energy holds no physical meaning, its zero value can be chosen as per...
The Electrical Double Layer01:30

The Electrical Double Layer

In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...

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Spatial Separation of Molecular Conformers and Clusters
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基于1,3,3-trimethyl-2-methyleneindoline和7,7,8,8-tetracyanoquinodimethane的分子内电荷转移分子Ddelta+-pi-Adelta-的离子性

Gunzi Saito1, Chin-Hong Chong, Masaru Makihara

  • 1Division of Chemistry, Graduate School of Science, and Research Center for Low Temperature and Materials Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan. saito@kuchem.kyoto-u.ac.jp

Journal of the American Chemical Society
|January 30, 2003
PubMed
概括

我们开发了一种简单的方法来测量分子内电荷转移 (CT) 分子的离子性. 这种离子性 (delta) 影响它们在染料和太阳能电池等应用中的性能.

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1,3,5-Triphenylbenzene and Corannulene as Electron Receptors for Lithium Solvated Electron Solutions

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科学领域:

  • 有机化学 有机化学
  • 材料科学 材料科学 材料科学
  • 光物理学的光学物理学

背景情况:

  • 内部分子电荷转移 (CT) 分子在各种先进材料中至关重要.
  • 量化电荷转移 (delta) 的程度对于预测分子功能至关重要.
  • 评估离子性的现有方法可能很复杂.

研究的目的:

  • 建立一种简单方便的方法来确定分子内CT分子的相对离子性 (delta).
  • 为了将CT分子的离子性与它们在各种应用中的性能相关联.

主要方法:

  • 利用各种溶剂中的电荷转移带的solvatochromic效应.
  • 分析CT分子的氧化还原特性.
  • 合成CT分子从1,3,3-三甲基-2-甲印和TCNQ衍生物中.

主要成果:

  • 成功开发了一种可靠的方法来评估分子内CT分子的相对离子性 (delta).
  • 该研究表明,离子性 (三角形) 与CT分子的功能之间存在明显的联系.
  • 该方法适用于具有Ddelta+-pi-Adelta-结构的CT分子.

结论:

  • 开发的方法提供了一种简单的方法来量化分子离子性.
  • 离子度 (delta) 是一个关键参数,影响着CT分子在染料,光伏材料,非线性光学,整流器和导体中的实用性.
  • 这项研究为设计具有定制性质的新型CT材料提供了基础.