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相关概念视频

Ionic Crystal Structures02:42

Ionic Crystal Structures

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...
Structural Isomerism02:34

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization
Properties of Organometallic Compounds01:23

Properties of Organometallic Compounds

Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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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相关实验视频

Updated: Jun 25, 2026

Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
07:20

Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods

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结构刚硬的五有机酸盐.

Erik P A Couzijn1, Daniël W F van den Engel, J Chris Slootweg

  • 1Department of Chemistry and Pharmaceutical Sciences, Faculty of Sciences, VU University Amsterdam, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands.

Journal of the American Chemical Society
|February 24, 2009
PubMed
概括

计算化学揭示了五有机酸盐中分子内替代物交换的两个途径. 这些发现使得在室温下稳定的结构刚性,性器官酸盐化合物的设计成为可能.

科学领域:

  • 有机金属化学 有机金属化学
  • 计算化学的计算化学
  • 立体化学是一种立体化学.

背景情况:

  • 五有机酸盐是化合物的一类,在材料科学中具有潜在的应用.
  • 了解它们的动态行为,例如替代物交换,对于设计稳定的结构至关重要.

研究的目的:

  • 调查五氧化中分子内替代物交换的机制.
  • 为了将计算发现与实验数据相关联.
  • 设计和合成新的,结构刚性的有机酸盐.

主要方法:

  • 密度函数理论 (DFT) 的计算,特别是B3LYP函数的计算.
  • 内分子反应坐标 (IRC) 的计算.
  • 新型甲基和乙基二化合物的合成.

主要成果:

  • 确定了两种不同的连接体变异路径 (A和B),两者都导致了种族化.
  • 途径A涉及到等离子体路径,并受到正位置换的阻碍.
  • 途径B通过三角形双金字塔过渡状态进行,对连接体电子性质敏感.
  • 电子负替代物会影响这两种途径的能量屏障.
  • 合成了新型的Si-chiral pentaorganosilicates,并发现它们在配置上是刚性的.

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Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers
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Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
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Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
07:20

Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods

Published on: October 6, 2023

Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers
07:14

Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers

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Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
09:37

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry

Published on: October 18, 2019

结论:

  • 这项研究阐明了五有机酸盐中的立体突变机制.
  • 计算洞察力引导了稳定,性有机酸盐化合物的成功合成.
  • 这些发现有助于开发新的基于的性材料.