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

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

1.6K
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...
1.6K
UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

25.2K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
25.2K
Analyte Adsorption and Distribution01:09

Analyte Adsorption and Distribution

789
In certain chromatographic separations, solutes transfer between the mobile phase and the stationary phase via sorption, which typically refers to the process of adsorption. For many chromatographic systems, the sorption process often depends on the polarity of the compounds—an expression of the overall dipole moment within the molecule. During the separation process, there is competition between the solute and solvent for adsorption to the stationary phase. Highly polar compounds and...
789
UV–Vis Spectroscopy: Beer–Lambert Law01:09

UV–Vis Spectroscopy: Beer–Lambert Law

3.7K
The Beer-Lambert law describes the relationship between absorbance and concentration, which combines the principles established by scientists Johann Heinrich Lambert and August Beer. Lambert's law states that when light passes through a medium, the loss in intensity is directly proportional to the original intensity and the path length of the light. Beer's law proposed that the transmittance of a solution remains constant if the product of concentration and path length is constant. The...
3.7K
Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview01:02

Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview

2.9K
Ultraviolet–visible (UV–visible or UV–Vis) spectroscopy is an analytical technique that investigates the interaction between matter and UV–Vis light within the electromagnetic spectrum. This method is widely used for its versatility, simplicity, and relatively quick data acquisition, making it valuable for both qualitative and quantitative analysis. When UV–Vis radiation passes through a material,  molecules absorb light depending on the energy required for...
2.9K
Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

2.2K
When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
2.2K

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

Boosting Photocatalytic Overall Water Splitting Activity of Phosphorene Through Five-Coordinate Passivation Enabled by Carbene Addition.

Angewandte Chemie (International ed. in English)·2026
Same author

Alkali Cations Promote CO<sub>2</sub> Electroreduction on Cu(100) Surfaces under Acidic Conditions by Suppressing Surface Hydrogen Passivation: A Multiscale Modeling Perspective.

Journal of the American Chemical Society·2026
Same author

Endowing Metal Oxychloride Solid Electrolytes with Improved Li Compatibility.

Journal of the American Chemical Society·2026
Same author

Synergy of Spin States, Active Centers, and H Adsorption Sites on <i>d</i>-<i>p</i> Hybridized Fe-Sn-N<sub>6</sub>-C Dual-Atom Catalysts for Enhanced Oxygen Reduction Reaction.

Journal of the American Chemical Society·2026
Same author

Autonomous Chemistry and Materials Innovation Driven by Scientific Agents.

JACS Au·2026
Same author

Deep Learning of Protein Structure and Physicochemical Properties from Two-Dimensional Infrared Spectra.

The journal of physical chemistry letters·2026

相关实验视频

Updated: Aug 31, 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

使用可解释机器学习的振动光谱量化确定表面吸附物质特性

Xijun Wang1, Shuang Jiang1, Wei Hu2

  • 1Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei 230026, China.

Journal of the American Chemical Society
|August 24, 2022
PubMed
概括
此摘要是机器生成的。

这项研究引入了机器学习的振动光谱,直接将光谱信号与微观材料属性联系起来. 这种方法量化地确定吸附能量和电荷转移,帮助材料设计.

更多相关视频

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
11:38

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

16.1K
Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method
09:43

Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method

Published on: April 11, 2020

6.7K

相关实验视频

Last Updated: Aug 31, 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
In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
11:38

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

16.1K
Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method
09:43

Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method

Published on: April 11, 2020

6.7K

科学领域:

  • 物理科学
  • 材料科学
  • 光谱学

背景情况:

  • 从宏观测量中推断出微观材料的特性是一项挑战.
  • 目前的方法依赖于间接的结构识别和模拟,容易产生错误.
  • 材料的评估和设计需要从光谱信号与微观性质的直接联系.

研究的目的:

  • 使用机器学习的振动光谱学建立定量频谱属性关系.
  • 从光谱信号中直接确定吸附能量和电荷转移等关键相互作用特性.
  • 开发可解释和可转移的材料分析数学模型.

主要方法:

  • 开发用于振动光谱的机器学习算法 (红外和拉曼).
  • 从实验光谱数据开发定量频谱属性关系.
  • 在不同的金属/合金表面上验证学习模型的可转移性.

主要成果:

  • 成功建立了基质-吸附剂系统的定量频谱属性关系.
  • 直接从光谱信号中精确确定吸附能量和电荷转移.
  • 开发出这些关系的物理解释性数学公式.

结论:

  • 机器学习的光谱学提供了从光谱数据到微观属性的直接途径.
  • 这种方法克服了间接方法的局限性,减少了错误积累.
  • 允许在操作条件下对材料设计和高通量选进行更广泛的光谱应用.