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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...
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Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Ionic Compounds: Formulas and Nomenclature03:34

Ionic Compounds: Formulas and Nomenclature

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An element composed of atoms that readily lose electrons (a metal) can react with an element composed of atoms that readily gain electrons (a nonmetal) to produce ions through complete electron transfer. The compound formed by this transfer is stabilized by the electrostatic attractions (ionic bonds) between the oppositely charged ions.
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Hydration of Cement01:24

Hydration of Cement

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Hydration of cement is a chemical reaction between cement particles and water. This process occurs primarily through two mechanisms: through-solution and topochemical. In the through-solution process, anhydrous compounds dissolve into their constituents, hydrates form in the solution, and then precipitate from the supersaturated solution. The topochemical process involves solid-state reactions at the cement particle surface. The through-solution process dominates the topochemical process at the...
271
Preparation and Reactions of Sulfides02:26

Preparation and Reactions of Sulfides

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Sulfides are the sulfur analog of ethers, just as thiols are the sulfur analog of alcohol. Like ethers, sulfides also consist of two hydrocarbon groups bonded to the central sulfur atom. Depending upon the type of groups present, sulfides can be symmetrical or asymmetrical. Symmetrical sulfides can be prepared via an SN2 reaction between 2 equivalents of an alkyl halide and one equivalent of sodium sulfide.
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Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

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sp3d and sp3d 2 Hybridization
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相关实验视频

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Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
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在Na-Si-H系统中的高价值酸.

Kristina Spektor1,2, Holger Kohlmann1, Dmitrii Druzhbin3

  • 1Inorganic Chemistry, Faculty for Chemistry and Mineralogy, Leipzig University, Leipzig, Germany.

Frontiers in chemistry
|September 25, 2023
PubMed
概括

研究人员在高压下探索了Na-Si-H系统,发现了新的高价值酸盐相. 该研究确定了Na3SiH7,一种具有独特结构性质和多态性的双盐,与储存和超导性相关.

关键词:
晶体结构预测和预测吉加帕斯卡尔化化化酸盐是一种酸盐.过高价值的情况.多个的技术多个的技术.

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科学领域:

  • 高压材料科学 高压材料科学
  • 固态化学 固态化学
  • 计算材料的发现发现.

背景情况:

  • 高压化是发现新丰富材料的关键,在超导,离子导电和储存方面具有潜在的应用.
  • 在极端压力条件下,涉及金属,和的三极系统未被充分探索.

研究的目的:

  • 在千兆帕斯卡压力下调查Na-Si-H三元系统.
  • 通过计算预测和实验验证新的高价值酸盐相.
  • 描述合成化合物的结构性质和相变.

主要方法:

  • 使用密度函数理论进行计算结构预测.
  • 在5-10 GPa的NaH-Si-H混合物的现场同步X射线衍射研究.
  • 高温合成和压力依赖的结构分析.

主要成果:

  • 预测存在高价值酸相NamSiH(4+m) (m = 1-3) 在0-20 GPa,具有八面体SiH62-复合体.
  • 实验证实了含有SiH62-和H-离子的双盐Na3 (m = 3) 形成的实验证实.
  • 观察到Na3SiH7的多态性,分别在高温和冷却时具有四角形和正角形 (Pbam) 结构. 在解压时,Pbam阶段保持在4.5GPa.

结论:

  • Na3SiH7代表了一类难以捉摸的新型酸化合物.
  • 双盐性质和观察到的多态性类似于已知的酸盐和酸盐.
  • 这一发现扩大了高压丰富材料及其结构多样性的范围.