绝对配置的D(2) - 对称的烯C(84) 的绝对配置
Filipp Furche1, Reinhart Ahlrichs
1Institut für Physikalische Chemie, Universität Karlsruhe, Kaiserstrasse 12, 76128 Karlsruhe, Germany.
Journal of the American Chemical Society
|April 11, 2002
概括
在烟中常见的D(2) - 对称的富勒伦C(84) 异构体是的. 它的绝对配置是通过比较实验电子圆二元体 (CD) 光谱与理论计算来确定的.
科学领域:
- 富勒的化学结构
- 希拉尔分子是基质的分子.
- 频谱学是一种光谱学.
背景情况:
- 富勒C(84) 存在于各种异构体中.
- 在富勒烯烟中经常观察到D(2) - 对称异构体.
- 富勒的奇拉性是一种重要的结构特征.
研究的目的:
- 确定D(2) - 对称的富勒伦C(84) 异构体的绝对配置.
- 为了研究这种富勒烯同位素的固有性.
主要方法:
- 实验性电子循环二元化 (CD) 光谱学.
- 时间依赖密度函数理论 (TD-DFT) 的计算.
- 实验CD光谱与理论预测的比较.
主要成果:
- 证实了D(2) - 对称的富勒伦C(84) 同位体是奇拉的.
- 通过匹配实验和计算的CD光谱,成功地分配了绝对配置.
结论:
- 该研究为一个关键的富勒伦C(84) 异构体提供了绝对配置的最终赋值.
- 这项工作有助于更好地了解烯结构及其特性.
- 该方法可用于确定其他复杂分子的性.
相关概念视频
Coordination Number and Geometry
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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 tetrahedral value,...
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 tetrahedral value,...
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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 staggered...
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this staggered...
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The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
Stereoisomerism of Cyclic Compounds
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A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
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