Jove
Visualize
お問い合わせ
JoVE
x logofacebook logolinkedin logoyoutube logo
JoVEについて
概要リーダーシップブログJoVEヘルプセンター
著者向け
出版プロセス編集委員会範囲と方針査読よくある質問投稿
図書館員向け
推薦の声購読アクセスリソース図書館諮問委員会よくある質問
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experimentsアーカイブ
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教員リソースセンター教員サイト
利用規約
プライバシーポリシー
ポリシー

関連する概念動画

Prochirality02:05

Prochirality

4.4K
The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...
4.4K
Preparation and Reactions of Sulfides02:26

Preparation and Reactions of Sulfides

5.3K
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.
5.3K
Chirality at Nitrogen, Phosphorus, and Sulfur02:30

Chirality at Nitrogen, Phosphorus, and Sulfur

6.4K
Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
6.4K
Diels–Alder Reaction Forming Bridged Bicyclic Products: Stereochemistry01:29

Diels–Alder Reaction Forming Bridged Bicyclic Products: Stereochemistry

5.0K
Diels–Alder reactions between cyclic dienes locked in an s-cis configuration and dienophiles yield bridged bicyclic products.
5.0K
Molecules with Multiple Chiral Centers02:25

Molecules with Multiple Chiral Centers

14.1K
Molecules that possess multiple chiral centers can afford a large number of stereoisomers. For instance, while some molecules like 2-butanol have one chiral center, defined as a tetrahedral carbon atom with four different substituents attached, several molecules like butane-2,3-diol have multiple chiral centers. A simple formula to predict the number of stereoisomers possible for a molecule with n chiral centers is 2n. However, there can be a lower number where some of the stereoisomers are...
14.1K
Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

3.4K
Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
3.4K

こちらも読む

関連記事

共著者、ジャーナル、引用グラフによってこの研究に関連する記事。

並び替え
Same author

Variation in the Spin-Splitting Magnitude from Dynamic Structural Distortions in 2D Hybrid Perovskites.

The journal of physical chemistry letters·2026
Same author

Mo<sub>0.92</sub>TiTa<sub>8.08</sub>O<sub>25</sub>: Structural, Electrochemical, and Computational Investigation as the Anode for Lithium-Ion Batteries.

Inorganic chemistry·2026
Same author

Flash-Joule heating enables rapid solid-state synthesis of multinary chalcogenides: a case study on Cu<sub>2</sub>Mo<sub>6</sub>S<sub>8</sub>.

Chemical communications (Cambridge, England)·2026
Same author

The effectiveness of a motivational interviewing-based intervention for reducing depressive symptoms after stroke compared to an attention control and usual care: study protocol for a multi-centre randomised controlled trial (COMMITS).

Trials·2026
Same author

Solution and Active Site Speciation Drive Selectivity for Electrocatalytic Reactive Carbon Capture in Diethanolamine over Ni-N-C Catalysts.

Journal of the American Chemical Society·2026
Same author

A foundation model for atomistic materials chemistry.

The Journal of chemical physics·2025

関連する実験動画

Updated: Nov 2, 2025

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
10:42

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

Published on: December 29, 2016

10.9K

マシン・ラーニング・ガイデッド・シンセシス・オブ・マルチナリー・シェヴレル・フェーズ・カルコゲニド

Nicholas R Singstock1, Jessica C Ortiz-Rodríguez2, Joseph T Perryman2

  • 1Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80303, United States.

Journal of the American Chemical Society
|June 10, 2021
PubMed
まとめ

機械学習は,エネルギーアプリケーションのための新しいシェヴレルフェーズ (CP) 材料の発見を加速します. 新しい記述子であるHδは,合成可能なCPを予測し,新しいテルリド化合物の識別と成功した合成につながります.

さらに関連する動画

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics
04:09

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

Published on: August 30, 2024

560
Facet-to-facet Linking of Shape-anisotropic Colloidal Cadmium Chalcogenide Nanostructures
09:12

Facet-to-facet Linking of Shape-anisotropic Colloidal Cadmium Chalcogenide Nanostructures

Published on: August 10, 2017

7.8K

関連する実験動画

Last Updated: Nov 2, 2025

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
10:42

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

Published on: December 29, 2016

10.9K
Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics
04:09

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

Published on: August 30, 2024

560
Facet-to-facet Linking of Shape-anisotropic Colloidal Cadmium Chalcogenide Nanostructures
09:12

Facet-to-facet Linking of Shape-anisotropic Colloidal Cadmium Chalcogenide Nanostructures

Published on: August 10, 2017

7.8K

科学分野:

  • 材料科学
  • コンピュータ化学
  • 固体化学

背景:

  • シェヴレルフェーズ (CPs) はエネルギー用途にモリブデンカルコゲニドが有望であるが,合成の課題のために十分に研究されていない.
  • 限られた合成データは,新しいCP材料の発見を妨げています.

研究 の 目的:

  • シェヴレル相の安定性と合成性を予測するための機械学習ディスクリプター (Hδ) の開発.
  • 新規のCP材料,特にテルリドの発見を加速する.

主な方法:

  • 分解エンタルピー (ΔHd) の密度関数理論 (DFT) 計算
  • 機械学習 (SIFT) で,438のCP組成のための56万の記述子を生成します.
  • 合成可能なCP (ΔHd <65 meV/原子) を識別するためにHδを用いた200,000組成物のスクリーニング.

主要な成果:

  • 合成可能なCPは48,501種類,その内2,307種類はテルリドである.
  • 5つの新型CPテルリドの 5つを合成し,安定した状態を予測した.
  • 合成テルリドCPで予測されたチャネルサイト占有偏好が確認された.

結論:

  • 解釈可能なHδ記述子は,CPの安定性を正確に予測し,材料の発見を導く.
  • 計算-実験的アプローチは,稀な化学空間での新しい材料の識別を加速します.
  • この方法論は,他の物質ファミリーの発見を加速させるのに利用できます.