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: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

1.8K
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...
1.8K
Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

1.4K
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...
1.4K
IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

714
IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
714
Molecular Models02:00

Molecular Models

37.8K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
37.8K
IR Frequency Region: X–H Stretching01:24

IR Frequency Region: X–H Stretching

900
In IR spectroscopy, signals produced by the X−H bonds (such as C−H, O−H, or N−H) can be observed in the frequency range of  2700–4000 cm–1. The C−H stretching vibration forms sharp bands in the region 2850–3000 cm–1. The presence of the O−H stretching vibration leads to the forming of an absorption band in the frequency range 3650–3200 cm−1. At the same time, N−H stretching can be confirmed by absorption bands in...
900
IR Spectrum01:19

IR Spectrum

901
When infrared (IR) radiation passes through a molecule, the bonds stretch or bend by absorbing the radiation. This absorption creates the molecule's absorption spectrum, which is the plot of its percentage transmittance versus wavenumber.
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0%...
901

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

Endowing Metal Oxychloride Solid Electrolytes with Improved Li Compatibility.

Journal of the American Chemical Society·2026
Same author

BN-Embedded Dibenzoullazine: Synthesis, Structures, and Properties.

Organic letters·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

Polymorphism-Controlled Exciton Dissociation in Hydrogen-Bonded Organic Framework Photocatalysts.

Angewandte Chemie (International ed. in English)·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
Same journal

Kinetic and Mechanistic Insights into H-Abstraction and Subsequent Isomerization and Decomposition of Monoglyme and Key Combustion Intermediates.

The journal of physical chemistry. A·2026
Same journal

First-Principles Analysis of Protonation-Induced Electronic Effects in Tetrakis(<i>p</i>-aminophenyl)porphyrin (TAPP).

The journal of physical chemistry. A·2026
Same journal

Exploring the Reactivity of the CH Radical toward Nitrous Oxide in the Context of the Interstellar Medium.

The journal of physical chemistry. A·2026
Same journal

Infrared Photodissociation Spectroscopy of Benzene-V<sup>+</sup>(CO)<sub>n</sub> "Piano Stool" Cations.

The journal of physical chemistry. A·2026
Same journal

Correction to "Solvent-Dependent Ultrafast Photochemical Dynamics of <i>N</i>-Methyl Oxindole Overcrowded Alkene Molecular Motors".

The journal of physical chemistry. A·2026
Same journal

Accelerating the Discovery of Superhalogens via Physics-Informed Graph Neural Networks.

The journal of physical chemistry. A·2026
查看所有相关文章

相关实验视频

Updated: May 28, 2025

Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research
08:12

Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research

Published on: February 16, 2024

8.2K

基于变压器的模型用于从红外光谱预测分子结构,使用基于补丁的自我注意力.

Wenjin Wu1,2, Aleš Leonardis2, Jianbo Jiao2

  • 1State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei 230026, China.

The journal of physical chemistry. A
|February 14, 2025
PubMed
概括
此摘要是机器生成的。

我们开发了一个新的AI模型来分析红外 (IR) 光谱,改进分子结构的确定. 这种先进的技术提高了真实数据的准确性,帮助化学家进行光谱分析.

更多相关视频

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

5.6K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.3K

相关实验视频

Last Updated: May 28, 2025

Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research
08:12

Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research

Published on: February 16, 2024

8.2K
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

5.6K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.3K

科学领域:

  • 化学 化学 化学
  • 频谱学是一种光谱学.
  • 人工智能的人工智能

背景情况:

  • 红外 (IR) 光谱对于确定分子结构至关重要.
  • 由于专业知识要求和光谱变异性,分析实验性红外光谱具有挑战性.

研究的目的:

  • 开发一种有效且简单的基于变压器的模型来分析红外光谱.
  • 为了提高从红外光谱数据的分子结构确定的准确性和稳定性.

主要方法:

  • 提出了一个基于变压器的模型,具有基于补丁的自我注意频谱嵌入层.
  • 采用了一种数据增强方法,在吸收峰值处引入选择性垂直噪声.

主要成果:

  • 该模型在模拟数据集上实现了最先进的性能.
  • 在真实实验光谱中,获得了55%的top-1精度,超过了以前的方法10%左右.
  • 该模型有效地分析了复杂的指纹区域,提取了关键的结构信息.

结论:

  • 拟议的变压器模型在红外光谱分析方面取得了重大进展.
  • 数据增强策略增强了模型处理光谱变量的能力.
  • 这种方法为化学家在分子结构阐明方面提供了更有效的工具.