Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

13.4K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
13.4K
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

27.3K
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...
27.3K
Valence Bond Theory02:45

Valence Bond Theory

49.1K
Overview of Valence Bond Theory
49.1K
Valence Bond Theory02:42

Valence Bond Theory

11.1K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.1K
π Molecular Orbitals of 1,3-Butadiene01:24

π Molecular Orbitals of 1,3-Butadiene

11.2K
Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
11.2K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

26.7K
Molecular Orbital Energy Diagrams
26.7K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

A many-electron perspective on aromaticity: investigating delocalization using probability density analysis.

Physical chemistry chemical physics : PCCP·2026
Same author

Beyond Brillouin's Theorem: On the Importance of Single Excitations in Jastrow-Correlated Wave Functions.

Journal of chemical theory and computation·2026
Same author

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.

The Journal of chemical physics·2025
Same author

Probability Density Analysis Reveals Substantial Differences Between the Dinitrogen and Acetylene Triple Bonds.

Journal of computational chemistry·2025
Same author

Surprising torsional barrier reduction in the coupled methyl internal rotations of 2,3-dimethylfuran observed by microwave spectroscopy.

Physical chemistry chemical physics : PCCP·2024
Same author

Identifying a real space measure of charge-shift bonding with probability density analysis.

Chemical science·2024

相关实验视频

Updated: Jan 6, 2026

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells
06:48

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells

Published on: January 5, 2024

5.1K

在 [1.1.1] 中对中央债券提出质疑Propellane:来自概率密度分析的见解.

Michel V Heinz1, Arne Lüchow1

  • 1Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, Aachen 52074, Germany.

The journal of physical chemistry. A
|September 21, 2025
PubMed
概括

该研究重新审视了[1.1.1]螺旋结构,得出结论,其单体状态稳定不是由于中央债券. 相反,它是由翼键内独特的多电子交换产生的.

科学领域:

  • 量子化学 是一个量子化学.
  • 计算化学计算化学
  • 分子结构分子结构

背景情况:

  • 自20世纪80年代以来,[1.1.1]的独特结构一直是激烈研究的主题.
  • 一个关键的辩论是关于其单一状态的稳定以及中央债券的潜在存在.

研究的目的:

  • 用现代计算方法重新检查[1.1.1]中的电子结构和结合.
  • 为了澄清单片状态稳定在 [1.1.1] 中的起源及其对化学结合理论的影响.

主要方法:

  • 使用了轨道独立的概率密度分析 (PDA).
  • 分析的重点是许多电子的概率密度和最可能的电子位置.
  • 研究了各种推进剂和相关分子的交换路径.

主要成果:

  • 该研究分析了 [1.1.1] 烯的单体和三体状态,以及其他烯和参考分子.
  • 概率密度分析揭示了涉及翼键的不寻常的多电子交换.
  • 没有证据支持在[1.1.1]propellane中存在中央债券.

结论:

  • 在 [1.1.1] 中存在中心键的概念并未得到概率密度分析的支持.

更多相关视频

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
08:10

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy

Published on: November 20, 2021

3.4K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

8.0K

相关实验视频

Last Updated: Jan 6, 2026

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells
06:48

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells

Published on: January 5, 2024

5.1K
Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
08:10

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy

Published on: November 20, 2021

3.4K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

8.0K
  • 单点状态稳定归因于翼键内复杂的电子交换,而不是中心键.