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関連する概念動画

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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関連する実験動画

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

Published on: October 6, 2023

構成的に硬いペンタオルガンシリケート.

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
まとめ
この要約は機械生成です。

計算化学は,ペンタオルガノシリケートにおける分子内置置換物交換の2つの経路を明らかにしています. これらの発見は,構成的に硬直な,室温で安定したシリコン-キラル有機シリケート化合物の設計を可能にします.

さらに関連する動画

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

Published on: May 12, 2023

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

関連する実験動画

Last 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

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

Published on: May 12, 2023

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

科学分野:

  • 有機金属化学 有機金属化学
  • コンピューティング・ケミストリー
  • ステレオ化学 ステレオ化学

背景:

  • ペンタオルガノシリケート (Pentaorganosilicates) は,材料科学における潜在的な応用があるシリコン化合物のクラスである.
  • 置換物交換などのダイナミックな行動を理解することは,安定した構造を設計する上で極めて重要です.

研究 の 目的:

  • ペンタオルガノシリケートの分子内置置換物交換のメカニズムを調査する.
  • 計算上の発見を実験データと相関させる.
  • 新しく,構成的に硬い有機シリケートを設計・合成する.

主な方法:

  • 密度関数理論 (DFT) 計算,特にB3LYP関数.
  • 内分子反応コーディネート (IRC) の計算.
  • 新型メチル-およびエチルビス ((([2]ナフチルピロール-2,1'-ジル) シリケート化合物の合成.

主要な成果:

  • 2つの異なるリガンド変異経路 (AとB) が特定され,どちらもレース化につながった.
  • 経路Aはエナティオメア経路を含み,オルト代用によって阻害されます.
  • 経路Bは三角二ピラミッド型移行状態を経由し,リガンドの電子特性に対して敏感である.
  • 電子負の置換物質は,両方の経路のエネルギーバリアに影響を与えます.
  • 新型Si-キラルペンタオルガノシリケートが合成され,構成的に硬直であることが判明しました.

結論:

  • この研究は,ペンタオルガノシリケートにおけるステレオ変異メカニズムを明らかにしています.
  • 計算による洞察は,安定した,キラルな有機シリケート化合物の成功合成を導いた.
  • この発見は,キラルシリコンベースの新材料の開発に寄与する.