Jove
Visualize
联系我们

相关概念视频

IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

2.4K
When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
2.4K
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations01:08

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

1.1K
Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single...
1.1K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

1.4K
A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...
1.4K
Valence Bond Theory and Hybridized Orbitals02:38

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...
19.5K
Sound Waves: Resonance01:14

Sound Waves: Resonance

2.6K
Resonance is produced depending on the boundary conditions imposed on a wave. Resonance can be produced in a string under tension with symmetrical boundary conditions (i.e., has a node at each end). A node is defined as a fixed point where the string does not move. The symmetrical boundary conditions result in some frequencies resonating and producing standing waves, while other frequencies interfere destructively. Sound waves can resonate in a hollow tube, and the frequencies of the sound...
2.6K
Valence Bond Theory02:42

Valence Bond Theory

8.7K
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...
8.7K

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

Molecular Dynamics Simulations and Electric Field Poling of Covalently Bonded Chromophores at Poly(methyl Methacrylate).

The journal of physical chemistry. B·2026
Same author

Navigating the Landscape of Cycloartanyl Cations: Synthesis of Fortunefuroic Acid I, Parkeol, 25,26,27-Trinor-3α-hydroxy-17,13-friedolanosta-8,12-dien-23-one, and Spirochensilide A.

Journal of the American Chemical Society·2026
Same author

Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins.

Journal of chemical theory and computation·2026
Same author

Accessing Multiple Phases via Thermodynamic or Kinetic Pathways: The Impact of Bivalent Ferrocene Spacers on 2D Hybrid Perovskite Formation.

ACS applied materials & interfaces·2025
Same author

A Subsystem Perspective on Vibrational Coupled Cluster Response Theory.

The journal of physical chemistry. A·2025
Same author

Molecular Dynamics Simulations of Electric Field Poled Poly(methyl methacrylate) Doped with Tricyanopyrroline Chromophores.

The journal of physical chemistry. B·2025
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

相关实验视频

Updated: Jul 16, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K

振动嵌入理论 振动嵌入理论

Janine Hellmers1, Carolin König1

  • 1Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover, Hannover,, Germany.

The Journal of chemical physics
|September 12, 2023
PubMed
概括
此摘要是机器生成的。

这项研究引入了嵌入振动波函数的新框架,加速了分子系统的计算. 局部分区方案显示了振动结构理论应用的提高准确性.

更多相关视频

Hemi-laryngeal Setup for Studying Vocal Fold Vibration in Three Dimensions
10:13

Hemi-laryngeal Setup for Studying Vocal Fold Vibration in Three Dimensions

Published on: November 25, 2017

11.0K
Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures
08:49

Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures

Published on: December 1, 2023

1.4K

相关实验视频

Last Updated: Jul 16, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K
Hemi-laryngeal Setup for Studying Vocal Fold Vibration in Three Dimensions
10:13

Hemi-laryngeal Setup for Studying Vocal Fold Vibration in Three Dimensions

Published on: November 25, 2017

11.0K
Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures
08:49

Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures

Published on: December 1, 2023

1.4K

科学领域:

  • 量子化学是一种量子化学.
  • 计算物理学的计算物理.
  • 分子动力学分子动力学

背景情况:

  • 对分子振动的准确建模对于理解化学反应和材料特性至关重要.
  • 目前用于大型分子系统的方法在计算上昂贵.
  • 开发高效准确的计算方法对于推进分子科学至关重要.

研究的目的:

  • 为嵌入缩小空间相关的振动波函数开发一个一致的框架.
  • 在振动合集群 (CC) 理论和响应理论中实现这个框架.
  • 调查嵌入不同分区方案的效率和准确性.

主要方法:

  • 一个新的嵌入框架,用于缩小空间相关的振动波函数.
  • 在振动合集群 (CC) 和响应理论中的实施.
  • 对振动模式的局部和基于能源的分区方案进行比较.

主要成果:

  • 嵌入式处理加速了C=O延伸的振动计算的融合.
  • 当地分区方案通常比基于能源的分区更好地与参考结果达成一致.
  • 该框架显示了对更大的 (生物分子) 系统的应用潜力.

结论:

  • 拟议的嵌入框架为振动结构理论提供了一种一致而有效的方法.
  • 局部分区是复杂系统中准确的振动计算的有希望的策略.
  • 这项工作为大型系统的计算化学中的多层次方法铺平了道路.