来自电子散射因子的电子阴性和离子性的通用尺度
1Department of Physics, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen 361005, China.
Physical chemistry chemical physics : PCCP
|July 10, 2024
概括
这项研究使用电子散射因子引入了通用电子负性度量,为材料结合提供了新的见解. 新的尺度准确地区分了晶体协调,促进了化学理解.
科学领域:
- 材料科学 材料科学 材料科学
- 量子化学 是一个量子化学.
- 固态物理 固态物理
背景情况:
- 电子阴性和离子性是基本的化学概念,难以普遍量化.
- 现有的尺度通常依赖于经验数据或具有局限性的理论模型.
研究的目的:
- 开发基于电子散射因子的普遍电子负性尺度.
- 通过电子散射数据提出新的离子度量表.
- 证明这些尺度在预测材料特性和粘合特性方面的实用性.
主要方法:
- 使用电子散射因子来定义一个新的"散射电子负性"尺度.
- 基于相同的电子散射原理开发了两个新的离子度量表.
- 将拟议的尺度与已建立的尺度比较,如保林和菲利普斯.
- 测试尺度与金属化物带标准 (Si规则),新的Mg规则以及关键离子度差距分析.
主要成果:
- 拟议的"散射电子负性"尺度与现有尺度有很好的相关性.
- 新的离子度量表有效地区分离子和共价键.
- 电子阴性度量表成功满足了金属化物带标准.
- 新的Mg规则和临界离子度差距概念准确地区分了A-B8-水晶中的四倍和六倍协调.
结论:
- 电子散射因子为通用电子负性和电离性尺度提供了坚实的基础.
- 这些新的尺度为各种材料状态中的电荷分布和结合提供了有价值的见解.
- 拟议的标准增强了在晶体固体中协调数的预测.
相关概念视频
Electronegativity
67.5K
Whether a bond is nonpolar or polar covalent is determined by a property of the bonding atoms called electronegativity.
67.5K
Ionic Radii
27.7K
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...
27.7K
Ionization Energy
33.5K
The amount of energy required to remove the most loosely bound electron from a gaseous atom in its ground state is called its first ionization energy (IE1). The first ionization energy for an element, X, is the energy required to form a cation with 1+ charge:
33.5K
Trends in Lattice Energy: Ion Size and Charge
23.8K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
23.8K
Ionic Strength: Overview
1.4K
The ionic strength of a solution is a quantitative way of expressing the total electrolyte concentration of a solution. This concept was first introduced in 1921 by two American physical chemists, Gilbert N. Lewis and Merle Randall, while describing the activity coefficient of strong electrolytes. During the calculation of ionic strength (I or μ), all the cations and anions are considered. However, the concentration (c) of an ion with a greater charge number (z) has a greater contribution...
1.4K
Ionic Bonding and Electron Transfer
41.4K
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.
41.4K


