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Conformations of Cyclohexane02:11

Conformations of Cyclohexane

13.7K
Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
13.7K
Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

16.1K
The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this...
16.1K
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

943
At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
943
Conformations of Ethane and Propane02:18

Conformations of Ethane and Propane

15.4K
In an organic molecule, free rotation about the carbon-carbon single bond results in energetically different conformers of the molecule. Due to this rotation, called the internal rotation, ethane has two major conformations — staggered and eclipsed.
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered...
15.4K
GTPases and their Regulation02:14

GTPases and their Regulation

8.9K
Guanine nucleotide-binding proteins (G-proteins), also known as GTPases, are a superfamily of proteins that regulate many cellular processes, such as cell signaling, vesicular transport, and the regulation of cell shape and motility. Mutation or dysfunction of these proteins can lead to disease. There are around 40,000 known G-proteins that can broadly be classified into two groups ‒  small G-proteins consisting of a single domain and large multi-domain G-proteins.
Large G-proteins,...
8.9K
Conformations of Cycloalkanes02:29

Conformations of Cycloalkanes

12.9K
Adolf von Baeyer attempted to explain the instabilities of small and large cycloalkane rings using the concept of angle strain — the strain caused by the deviation of bond angles from the ideal 109.5° tetrahedral value for sp3  hybridized carbons. However, while cyclopropane and cyclobutane are strained, as expected from their highly compressed bond angles, cyclopentane is more strained than predicted, and cyclohexane is virtually strain-free. Hence, Baeyer’s theory that...
12.9K

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Author Spotlight: Getting an A with the 3Cs: Chromosome Conformation Capture for Undergraduates
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Author Spotlight: Getting an A with the 3Cs: Chromosome Conformation Capture for Undergraduates

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CsTaS3におけるコンフォーマーション・ギャップ・コントロール

Maarten G Goesten1,2, Yi Xia3, Ulrich Aschauer4

  • 1Centre for Integrated Materials Research (iMAT), Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus, Denmark.

Journal of the American Chemical Society
|February 17, 2022
PubMed
まとめ
この要約は機械生成です。

セシウムタンタール三硫化物 (CsTaS3) は,Jahn-Teller歪みによって引き起こされる,太陽電池に適した調節可能なバンドギャップを示している. その複雑な多形構造は,太陽光発電の用途に強力な可視光吸収を提供します.

さらに関連する動画

Targeting Cysteine Thiols for in Vitro Site-specific Glycosylation of Recombinant Proteins
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Targeting Cysteine Thiols for in Vitro Site-specific Glycosylation of Recombinant Proteins

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Examining the Conformational Dynamics of Membrane Proteins in situ with Site-directed Fluorescence Labeling
11:55

Examining the Conformational Dynamics of Membrane Proteins in situ with Site-directed Fluorescence Labeling

Published on: May 29, 2011

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関連する実験動画

Last Updated: Oct 3, 2025

Author Spotlight: Getting an A with the 3Cs: Chromosome Conformation Capture for Undergraduates
09:13

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Targeting Cysteine Thiols for in Vitro Site-specific Glycosylation of Recombinant Proteins
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Examining the Conformational Dynamics of Membrane Proteins in situ with Site-directed Fluorescence Labeling
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科学分野:

  • 材料科学
  • 固体物理学
  • コンピュータ化学

背景:

  • 軌道上のエネルギーと結晶の対称性により,CsTaS3の太陽電池の応用の可能性が示唆される.
  • 構造と性質の関係を理解することは,光伏材料の最適化に不可欠です.

研究 の 目的:

  • CsTaS3の構造と光学的性質の複雑な関係を調査する.
  • CsTaS3の太陽電池光伏の適性を,高度な計算方法によって決定する.

主な方法:

  • 化学理論と洗練された計算を組み合わせた
  • 圧縮感知格子ダイナミクスを利用して 非調和的原子間力定数を計算した.
  • バンドギャップと吸収予測のGW-Bethe-Salpeterアプローチを使用しました.

主要な成果:

  • バンドギャップに影響を与える2番目のJahn-Teller (JT) 歪みを特定しました.
  • 1000K未満のJT金属から半導体への移行を予測した.
  • 30 meV/Ta以内の帯域のギャップを持つ204の異なる形状を発見し,調節可能な光学特性を導いた.
  • 1. 3~1. 4eVのバンドギャップと強力な可視光吸収を予測した.

結論:

  • CsTaS3の光学特性は,ギャップした形状のポリモルフなアンサンブルによって支配されます.
  • 調節可能なバンドギャップと強い吸収により,太陽電池の有望な候補となります.