罗醇[4]沙作为受挫的有机固体.
Harshita Kumari1, Loredana Erra, Alicia C Webb
1Department of Chemistry, University of Missouri-Columbia , 601 S. College Avenue, Columbia, Missouri 65211, United States.
Journal of the American Chemical Society
|September 18, 2013
概括
研究人员研究了C-pentylpyrogallol[4]arene (PgC5) 并发现了七种形式,包括CO2相互作用. 热醇[4]沙显示出作为丧的有机固体的潜力,影响了材料科学.
科学领域:
- 超分子化学 超分子化学
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
背景情况:
- 在超分子化学中,数字间的层次结构至关重要.
- 甲醇[4]是一种化合物类,在气体储存中具有潜在的应用.
- 了解它们的固态行为和客体相互作用是开发新材料的关键.
研究的目的:
- 为了阐明C-pentylpyrogallol[4]arene (PgC5) 分层排列中的结构变化.
- 研究宿主与客人的相互作用,特别是与二氧化碳的相互作用.
- 探索pyrogallol[4]arenes作为受挫的有机固体的潜力.
主要方法:
- 用X射线粉末衍射 (PXRD) 来分析固态结构.
- 气体吸附技术用于研究二氧化碳的吸收和相互作用.
- 分子动力学模拟以了解分子排列和自我组装.
主要成果:
- 从结构上来说,PgC5的两个截然不同的交叉数字的层次安排是有特点的.
- 分子动力学揭示了自包含的二聚体的形成,有或没有溶剂.
- 通过气体吸附和PXRD,包括相互转换,确定了7种含有和没有CO2的PgC5形式.
结论:
- 热醇[4]场展现出各种各样的固态形式和包装安排.
- 这项研究提供了第一个证据,证明了二氧化碳在pyrogallol[4]arenes中的吸收.
- 热醇[4]场展示了受挫的有机固体的特征,为新材料设计打开了道路.
相关概念视频
Frost Circles for Different Conjugated Systems
The inscribed polygon method is consistent with Hückel’s 4n + 2 rule and helps to learn whether the given cyclic compound is aromatic or not. The compound is stable and aromatic if every bonding molecular orbital (MO) is completely filled with a pair of electrons. However, if the non-bonding or antibonding orbitals are filled with electrons, the compound is unstable and not aromatic. Consider the Frost circle diagrams for cycloalkenes containing 4 to 8 carbons.
Aromatic Hydrocarbon Anions: Structural Overview
Neutral hydrocarbons like cyclopentadiene with an odd number of carbon atoms and one intervening CH2 group in the ring are not aromatic. Cyclopentadiene with 4 π electrons does not satisfy the 4n + 2 π electron rule. Additionally, the intervening CH2 group is sp3 hybridized and lacks a vacant p orbital, thereby interrupting the overlap of p orbitals in a continuous manner and preventing the delocalization of π electrons throughout the ring.
Due to the absence of continuous overlap of p...
Due to the absence of continuous overlap of p...
Structure and Nomenclature of Alcohols and Phenols
Overview
Alcohols are one of the most important functional groups in organic chemistry. The name of alcohol comes from the hydrocarbon from which it is derived. Alcohols are organic molecules containing the functional hydroxyl or –OH group directly bonded to carbon. Phenols have an OH group directly attached to a benzene ring. While alcohols are colorless, phenol is a white crystalline compound with a characteristic "hospital smell" odor.
As with other organic compounds, alcohols and phenols...
Alcohols are one of the most important functional groups in organic chemistry. The name of alcohol comes from the hydrocarbon from which it is derived. Alcohols are organic molecules containing the functional hydroxyl or –OH group directly bonded to carbon. Phenols have an OH group directly attached to a benzene ring. While alcohols are colorless, phenol is a white crystalline compound with a characteristic "hospital smell" odor.
As with other organic compounds, alcohols and phenols...
Thermal and Photochemical Electrocyclic Reactions: Overview
Electrocyclic reactions are reversible reactions. They involve an intramolecular cyclization or ring-opening of a conjugated polyene. Shown below are two examples of electrocyclic reactions. In the first reaction, the formation of the cyclic product is favored. In contrast, in the second reaction, ring-opening is favored due to the high ring strain associated with cyclobutene formation.
Aromatic Compounds: Overview
In general, the term ‘aromatic’ indicates a pleasant smell or fragrance from fresh flowers, freshly prepared coffee, etc. In the early history of organic chemistry, many benzene derivatives were isolated from the pleasant odor oils of the plants. For example, vanillin was isolated from the oil of vanilla, methyl salicylate from the oil of wintergreen, and cinnamaldehyde from the oil of cinnamon. They all had a pleasant odor; hence the name aromatic was given.
In 1825, Faraday isolated benzene...
In 1825, Faraday isolated benzene...
ortho–para-Directing Activators: –CH3, –OH, –⁠NH2, –OCH3
All ortho–para directors, excluding halogens, are activating groups. These groups donate electrons to the ring, making the ring carbons electron-rich. Consequently, the reactivity of the aromatic ring towards electrophilic substitution increases. For instance, the nitration of anisole is about 10,000 times faster than the nitration of benzene. The electron-donating effect of the methoxy group in anisole activates the ortho and para positions on the ring and stabilizes the corresponding...

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