溶剂诱导的多态化三维结网络的六基 ((4-carbamoylphenyl) )
Kenji Kobayashi1, Azumi Sato, Shigeru Sakamoto
1Department of Chemistry, Faculty of Science, Shizuoka University, 836 Ohya, Shizuoka 422-8529, Japan. skkobay@ipc.shizuoka.ac.jp
Journal of the American Chemical Society
|March 6, 2003
概括
六甲基 ((4-碳基) (1) 的晶体结构表现出溶剂诱导的拓同质性,根据结晶条件形成三种不同的3D键多孔网络 (A,B和C类型).
科学领域:
- 晶体工程公司 晶体工程
- 超分子化学 超分子化学
- 材料科学 材料科学 材料科学
背景情况:
- 六基 (Hexakis(4-carbamoylphenyl) 基 (1) 具有半径功能化的六角结构,有六个主要的胺基.
- 联网对于设计具有可调节性质的多孔材料至关重要.
研究的目的:
- 确定三种不同的三维 (3D) 化合物1的键网络的晶体结构.
- 研究结晶条件对网络形态和多孔性的影响.
主要方法:
- 用单晶X射线衍射分析来阐明晶体结构.
- 结晶是使用各种溶剂进行的,包括DMSO,n-PrOH/水混合物,以及水热条件.
主要成果:
- 类型A网络 (1.12DMSO) 形成了一个高度多孔的3D结构,通过1D catemer 链沿 c 轴进行通道.
- B型网络 (1.6n-PrOH) 呈现出3D多孔结构,通过循环二元体沿着a轴沿着三角形状的通道.
- 在热水条件下,C型网络 (1.H2O) 产生了无孔的3D链结构.
结论:
- 化合物1中的溶剂诱导的拓异构导致多样化的3D结网络架构.
- 观察到的同质性归因于客人包容能力,键相互作用和溶剂极性.
- 了解这些结构-属性关系是设计新型多孔材料的关键.
相关概念视频
Hybridization of Atomic Orbitals II
sp3d and sp3d 2 Hybridization
Carbocations
Carbocations are one of the reaction intermediates formed during several nucleophilic substitutions or elimination reactions. A carbocation is an electron-deficient species with the central carbon atom having six electrons and three bonded atoms. The central carbon in a carbocation is sp2 hybridized with trigonal planar geometry. It has an empty p orbital perpendicular to the plane of the structure that can accept electrons. Thus, carbocations act as strong electrophiles and may react with any...
Structures of Carboxylic Acid Derivatives
Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
Structure of Benzene: Molecular Orbital Model
According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
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...
Radicals: Electronic Structure and Geometry
This lesson delves into the geometry of a radical, which is influenced by the electronic structure of the molecule. The principle is similar to that of a lone pair, where the unpaired electron influences the geometry at the radical center.
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...


