一个具有局部 sp2 结合的新结构,用于钻石中的五倍结合
Yuying Yang1, Liu Feng2, Qiang Zhang1
1School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo, 255000, China.
Small (Weinheim an der Bergstrasse, Germany)
|June 25, 2023
概括
钻石 钻石 钻石 钻石
科学领域:
- 材料科学 材料科学 材料科学
- 纳米技术纳米技术
- 固态物理 固态物理
背景情况:
- 钻石中的结构缺陷,就像双边界一样,显著改变了材料的特性.
- 在这些缺陷中发生从sp3到sp2杂交的原子结合变化.
研究的目的:
- 在爆炸合成的超分散钻石中研究五倍生的原子结构.
- 识别和分析这些五重双胞胎中的新型核心结构.
主要方法:
- 高分辨率电子显微镜 (HREM) 用球形偏差校正.
- 在HREM图像模拟中.
- 分子力学 (MM) 的计算.
主要成果:
- 在钻石中观察到两种不同的五重双胞胎结构.
- 确定了一种新的扩展核心结构,具有sp3和sp2结合的联合混合.
- 基本单元涉及联合混合的平面六角碳环.
结论:
- 钻石中的五重生包括sp3和sp2结合配置.
- 已识别的sp2结合的六边形单位是钻石粒边界的关键结构元素.
相关概念视频
Hybridization of Atomic Orbitals I
47.4K
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...
47.4K
Hybridization of Atomic Orbitals II
32.6K
sp3d and sp3d 2 Hybridization
32.6K
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
1.1K
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
1.1K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
1.1K
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
1.1K
Valence Bond Theory and Hybridized Orbitals
19.6K
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...
19.6K
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


