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相关概念视频

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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在CsTaS3中的合规差距控制

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
概括
此摘要是机器生成的。

三硫化 (CsTaS3) 呈现出适用于太阳能电池的调节带间隙,由雅恩-泰勒扭曲驱动. 其复杂的多态结构为光伏应用提供强大的可见光吸收.

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科学领域:

  • 材料科学
  • 固态物理
  • 计算化学

背景情况:

  • 轨道能量和晶体对称性表明CsTaS3的太阳能电池应用潜力.
  • 了解结构属性关系对于优化光伏材料至关重要.

研究的目的:

  • 研究CsTaS3结构和光学特性之间的复杂关系.
  • 通过先进的计算方法确定CsTaS3适用于太阳能电池光伏.

主要方法:

  • 化学理论与复杂的计算相结合.
  • 使用压缩感应网格动力学来计算无和的原子间力常数.
  • 使用GW-Bethe-Salpeter方法进行带隙和吸收预测.

主要成果:

  • 发现了影响波段间隙的二级Jahn-Teller (JT) 扭曲
  • 预测金属转化为半导体的时间在1000K以下.
  • 发现了204种不同的形状,带间隔在30 meV/Ta以内,导致可调的光学特性.
  • 预测了1.3-1.4 eV的频段间隙和强大的可见光吸收.

结论:

  • CsTaS3的光学特性由多态的隙形态组成.
  • 这种材料的可调节带间隙和强吸收使其成为太阳能电池光伏的有希望的候选者.