超分子化学中的原子:一个结构视角. 他们在哪里,为什么这很重要?
Amber L Thompson1, Nicholas G White2
1Chemical Crystallography, Chemistry Research Laboratory, Mansfield Road, Oxford OX1 3TA, UK. amber.thompson@chem.ox.ac.uk.
Chemical Society reviews
|August 21, 2023
概括
本教程回顾探讨了化学和生物化学中的键. 它讨论了X射线结晶学如何揭示这些相互作用,其局限性,以及改进数据的新方法.
科学领域:
- 超分子化学 超分子化学
- 生物化学 生物化学
- 化学晶体学 化学晶体学
背景情况:
- 键在化学和生物化学科学中是基本的,驱动着复杂结构的组装,如聚合物和宿主-客系统.
- 超分子化学广泛利用键来构建有序的材料.
- 单晶X射线衍射是阐明分子结构的主要工具,包括由键稳定的分子结构.
研究的目的:
- 审查结晶学实验在特征化键相互作用中的实用性.
- 要突出有关原子的X射线衍射数据固有的局限性.
- 引入新兴技术,解决研究键的这些局限性.
主要方法:
- 分析晶体学数据以推断键特性.
- 讨论通过X射线对原子的弱散射.
- 探索先进的结晶学和补充技术.
主要成果:
- 晶体学为结合几何学和网络拓学提供了宝贵的见解.
- 弱原子散射给精确确定键参数带来了挑战.
- 新兴的方法在键分析中提供了更高的分辨率和精度.
结论:
- 尽管有局限性,X射线晶体学仍然是研究结合的强大技术.
- 实验和分析方法的进步对于全面了解键至关重要.
- 对新技术的进一步研究将完善我们对这些重要相互作用的特征的能力.
相关概念视频
Hydrogen Bonds
8.6K
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
8.6K
Molecular Orbital Theory II
19.3K
Molecular Orbital Energy Diagrams
19.3K
VSEPR Theory
9.6K
Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure around a central atom from an examination of the number of bonds and lone electron pairs in its Lewis structure. The VSEPR model assumes that electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between these electron pairs by maximizing the distance between them. The electrons in the valence shell of a central atom form either bonding...
9.6K
VSEPR Theory and the Effect of Lone Pairs
42.4K
Effect of Lone Pairs of Electrons on Molecule Geometry
42.4K
Hybridization of Atomic Orbitals I
47.3K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
47.3K
Molecular Shapes
57.0K
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...
Two regions of electron density in a diatomic...
57.0K


