在溶液中模块化超分子架构的结构性表征.
David M Tiede1, Ruitian Zhang, Lin X Chen
1Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439, USA. tiede@anl.gov
Journal of the American Chemical Society
|October 28, 2004
概括
这项研究使用X射线散射来分析超分子氨酸结构. 灵活的结构适应客分子的包含,揭示了对其功能的洞察力.
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
- 化学物理 化学物理
背景情况:
- 模块化超分子架构提供可调节的特性.
- 氨酸宏循环是各种功能性材料的关键组成部分.
- 了解溶液状态动态对于分子设计至关重要.
研究的目的:
- 为了描述六米色氨酸宏环数组的溶液结构.
- 为了研究客分子纳入后的结构变化.
- 为这些超分子系统的功能建立结构基础.
主要方法:
- 高角度X射线散射 (HAXS) 到6A分辨率.
- 对距离函数 (PDF) 对散射数据的分析.
- 与能源最小化的模型结构进行比较.
主要成果:
- 烯酸建筑存在于一个形态整体,而不是刚性结构.
- 平均直径比理想化模型短1.5A,具有显著的位置和旋转自由.
- 客分子插入将直径扩大0.6A,并将配置分散减少两倍.
结论:
- 溶液X射线散射提供了对形状动态的独特见解.
- 氨酸阵列的灵活性质对于其功能至关重要.
- 结构数据支持光物理和客户托管应用的分子设计.
相关概念视频
Molecular Shapes
Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.Two regions of electron density in a diatomic...
Molecular Models
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
Structures of Solids
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
Metallic Solids
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Resonance and Hybrid Structures
According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
Structure of Amines
The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’ carbon–carbon bond (154 pm). These aspects are illustrated in Figure...


