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Ionic Radii03:10

Ionic Radii

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Ionic radius is the measure used to describe the size of an ion. A cation always has fewer electrons and the same number of protons as the parent atom; it is smaller than the atom from which it is derived. For example, the covalent radius of an aluminum atom (1s22s22p63s23p1) is 118 pm, whereas the ionic radius of an Al3+ (1s22s22p6) is 68 pm. As electrons are removed from the outer valence shell, the remaining core electrons occupying smaller shells experience a greater effective nuclear...
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Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

50.9K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
50.9K
Atomic Radii and Effective Nuclear Charge03:08

Atomic Radii and Effective Nuclear Charge

62.5K
The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
62.5K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

31.1K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
31.1K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

48.9K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
48.9K
π Molecular Orbitals of the Allyl Cation and Anion01:18

π Molecular Orbitals of the Allyl Cation and Anion

5.7K
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...
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相关实验视频

Updated: Feb 21, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

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电离子辐射的同电子理论

Noam Agmon1

  • 1The Fritz Haber Research Center, Institute of Chemistry, The Hebrew University of Jerusalem , Jerusalem 91904, Israel.

Journal of the American Chemical Society
|October 4, 2017
PubMed
概括
此摘要是机器生成的。

这项研究提出了使用原子和轨道半径计算离子半径的新定量方法. 这种方法准确地复制实验有效的离子半径,为这些关键化学值提供理论基础.

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科学领域:

  • 物理化学
  • 固态物理
  • 地质化学
  • 生物物理

背景情况:

  • 离子半径是各种科学领域的基础.
  • 现有的汇编缺乏明确的理论基础和量化推导.
  • 实验性离子半径的理论基础尚未得到充分理解.

研究的目的:

  • 开发一种计算离子半径的定量方法.
  • 为了解离子半径建立一个理论框架.
  • 提供一种预测阴离子属性的方法.

主要方法:

  • 外 (共价) 和内 (封闭外) 半径的负荷加权平均值.
  • 使用实验性原子半径和修改后的斯莱特理论.
  • 从电离能计算选 (S) 和有效主要量子数 (n*).

主要成果:

  • 成功复制了实验中的Shannon-Prewitt有效离子半径 (协调号 6).
  • 达到0.025 Å的平均绝对偏差,与实验准确度相比较.
  • 证明了离子半径的定量导出.

结论:

  • 开发的方法为离子半径计算提供了坚实的理论基础.
  • 量化方法提供了高准确度,匹配实验数据.
  • 建议使用类似的原理计算其他阴离子性质.