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相关概念视频

Ionic Crystal Structures02:42

Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.3K
Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

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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:
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Ionic Bonding and Electron Transfer02:48

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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. 
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Molecular Orbital Theory II03:51

Molecular Orbital Theory II

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Molecular Orbital Energy Diagrams
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The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
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Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

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To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
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在MgO-SiO2中的原子和电子结构

Yuta Shuseki1,2, Shinji Kohara2, Tomoaki Kaneko3

  • 1Graduate School of Engineering, Kyoto University, Kyoto 615-8520, Japan.

The journal of physical chemistry. A
|January 18, 2024
PubMed
概括

研究玻璃和液体MgO-SiO2结构显示,原子包装和网络拓显著影响玻璃形成能力 (GFA). 晶体相似性表明GFA低,而独特的拓学表明这些材料的GFA高.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 固态化学 固态化学
  • 计算材料科学科学 计算材料科学

背景情况:

  • 玻璃和液体MgO-SiO2等材料中的无序结构由于实验数据有限,因此难以分析.
  • 了解原子结构和玻璃形成能力 (GFA) 之间的关系对于设计新材料至关重要.

研究的目的:

  • 在玻璃 (g-) 和液态 (l-) MgO-SiO2.2中研究氧气包装和网络拓.
  • 为了比较晶体,玻璃和液态的原子结构,以了解GFA.
  • 确定电子结构在MGO-SiO2系统的GFA中的作用.

主要方法:

  • 结合了实验衍射和计算模拟技术.
  • 原子结构的拓分析.
  • 最低无人分子轨道 (LUMO) 电子状态的计算.

主要成果:

  • 氧气包装在Mg2SiO4中比MgSiO3更大,在玻璃杯中比液体更大.
  • 晶体和玻璃/液体Mg2SiO4之间的拓相似性与低GFA相关.
  • 高GFA MgSiO3与其晶体形式相比,呈现出明显的玻璃拓.
  • 在MgO-SiO2玻璃中的LUMO状态局部存在于空位,与晶体氧化物不同,这表明电子结构不是主要的GFA决定因素.

结论:

  • MgO-SiO2二进制系统的GFA主要由原子结构,特别是网络拓学来决定.
  • 拓分析为氧化玻璃的GFA提供了关键的见解.
  • 电子结构,特别是LUMO本地化,似乎不是这些系统中控制GFA的主导因素.