结合和道的结合和道
John F Wager1, Douglas A Keszler2
1School of EECS, Oregon State University, Corvallis, Oregon 97331-5501, United States.
ACS omega
|July 3, 2023
概括
量子力学电子道化解释了化学结合. 不同的道行为 - - 双向,单向和复杂 - - 标志着共价,离子和极性共价键,暗示了新的键类型.
科学领域:
- 化学 化学 化学
- 量子力学就是量子力学.
- 材料科学 材料科学 材料科学
背景情况:
- 化学键是分子结构和反应性的基础.
- 现有的模型描述了通过电子共享或转移来形成键.
- 量子力学现象在结合中的作用需要进一步探索.
研究的目的:
- 提出量子力学电子道化作为化学键的统一机制.
- 为了区分底层的共价,离子和极性共价键的道化机制.
- 探索基于道开通原则的新型债券类型的潜力.
主要方法:
- 电子穿越能量屏障的理论分析.
- 模拟不同类型的键 (共价,离子,极共价) 的道化动态.
- 量子力学原理应用于电子在结合中的行为.
主要成果:
- 共价键由双向穿越对称障碍的道解释.
- 离子结合归因于跨越不对称障碍物的单向道.
- 极性共价键被描述为跨越不对称障碍物的复杂双向道.
- 提出了一种新的"极性离子"键类型,涉及两个电子道化.
结论:
- 量子力学电子道是所有主要化学键类型的基本媒介.
- 道的性质 (方向性,屏障对称性) 决定了键的特性.
- 道原理为发现新的化学结合范式开辟了道路.
相关概念视频
Valence Bond Theory
32.5K
Overview of Valence Bond Theory
32.5K
Bonding in Metals
47.5K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
47.5K
Valence Bond Theory and Hybridized Orbitals
19.5K
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
19.5K
Types of Chemical Bonds
76.2K
Chemical bonding theories were pioneered by American chemist Gilbert N. Lewis. He developed a model called the Lewis model to explain the type and formation of different bonds. Chemical bonding is central to chemistry; it explains how atoms or ions bond together to form molecules. It explains why some bonds are strong and others are weak, or why one carbon bonds with two oxygens and not three; why water is H2O and not H4O.
76.2K
Chemical Bonds
16.7K
Atoms participate in a chemical bond formation to acquire a completed valence-shell electron configuration similar to that of the noble gas nearest to it in atomic number. Ionic, covalent, and metallic bonds are some of the important types of chemical bonds. Bond energy and bond length determine the strength of a chemical bond.
Types of Chemical Bonds
An ionic bond is formed due to electrostatic attraction between cations and anions. Often, the ions are formed by the transfer of electrons...
16.7K
Molecular Orbital Theory I
32.3K
Overview of Molecular Orbital Theory
32.3K


