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

Carbon-13 (¹³C) NMR: Overview01:10

Carbon-13 (¹³C) NMR: Overview

Carbon-13 is a naturally occurring NMR-active isotope of carbon with a low natural abundance of 1.1%. In contrast, carbon-12 is the most abundant isotope of carbon with zero nuclear spin. Therefore, it is NMR inactive. The gyromagnetic ratio of carbon-13 is smaller than that of protons. As a result, carbon-13 resonance is about 6000 times weaker than proton resonance. For a given magnetic field strength, the resonance frequency of carbon-13 is about one-fourth of the resonance frequency for...
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
NMR Spectroscopy Of Amines01:19

NMR Spectroscopy Of Amines

In proton NMR spectroscopy, primary amines and secondary amines showcase their N–H protons as a broad signal in the chemical shift range between δ 0.5 and 5 ppm. The exact position in this range depends on several factors, including sample concentration, hydrogen bonding, and the type of solvent used. Since amine protons undergo fast proton exchange in solution, the protons are labile and therefore do not participate in any splitting with adjacent protons. Thus, the observed peak is broad and...
NMR Spectroscopy: Chemical Shift Overview01:15

NMR Spectroscopy: Chemical Shift Overview

The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an internal reference while recording spectra. The difference between the absorption frequencies of the sample and TMS (in Hz) is divided by the spectrometer operating frequency (in MHz) to obtain a dimensionless quantity called the chemical shift. It is reported on the δ (delta) scale and expressed in parts per million.
For instance, the proton...
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as annulenes. In...

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

Geometry-Based Neural-Network Prediction of Electron Localization Function Topology in Dense Hydrogen.

Chemistry (Weinheim an der Bergstrasse, Germany)·2026
Same author

Pressure-Driven Helium Insertion for Structural Stability of CH<sub>3</sub>NH<sub>3</sub>PbBr<sub>3</sub> Hybrid Perovskites.

Chemistry of materials : a publication of the American Chemical Society·2026
Same author

Leveraging the redox activities of cerium and dibenzotetrathiafulvalene to discover a photo-responsive magnetic material.

Chemical science·2026
Same author

Hydrogen Vacancy Induced Superconductivity Collapse in A15 Lanthanum Hydride.

Physical review letters·2026
Same author

The path to room-temperature superconductivity: A programmatic approach.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

A chemical bonding based descriptor for predicting the role of anharmonicity induced by quantum nuclear effects in hydride superconductors.

npj computational materials·2026

相关实验视频

Updated: Jul 16, 2026

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering
09:12

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering

Published on: June 1, 2016

在功能化单壁碳纳米管中对13C NMR化学转移进行密度功能研究.

Eva Zurek1, Chris J Pickard, Jochen Autschbach

  • 1Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse1, 70569 Stuttgart, Germany.

Journal of the American Chemical Society
|March 21, 2007
PubMed
概括

计算13C NMR化学转移揭示了功能组如何附着在单壁碳纳米管 (SWNT) 上. 这种方法可以区分并行和对角键功能化,提供了对SWNT结构的见解.

科学领域:

  • 计算化学计算化学
  • 材料科学 材料科学 材料科学
  • 纳米技术 纳米技术

背景情况:

  • 单壁碳纳米管 (SWNTs) 是有前途的纳米材料,具有多种应用.
  • 了解SWNTs的精确功能对于定制其属性至关重要.
  • 核磁共振 (NMR) 光谱是一种强大的工具,用于表征分子结构.

研究的目的:

  • 通过计算来研究功能化SWNTs的13C NMR化学转移.
  • 确定不同功能组和附着部位如何影响NMR信号.
  • 建立NMR作为一种方法来识别SWNT上的共价功能的类型.

主要方法:

  • 运用了包括投影机增强的平面波 (GIPAW) 密度函数理论 (DFT) 进行计算.
  • 在不同半径的SWNT上研究了各种功能组 (NH,NCH3,NCH2OH,CH2NHCH2) ((7,0) 到 (10,0)).
  • 分析了参与共价加法或替代的碳原子的化学转移.

主要成果:

  • 13C NMR 化学转移对功能化是否发生在平行或对角的 C-C 键敏感.
  • 对平行键的附着会诱导sp3杂交 (大约44ppm),而对角的附着会保留sp2杂交.
  • 质子 (1H) NMR转移和功能化程度也提供结构信息.

更多相关视频

Functionalization and Dispersion of Carbon Nanomaterials Using an Environmentally Friendly Ultrasonicated Ozonolysis Process
08:33

Functionalization and Dispersion of Carbon Nanomaterials Using an Environmentally Friendly Ultrasonicated Ozonolysis Process

Published on: May 30, 2017

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
08:40

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

相关实验视频

Last Updated: Jul 16, 2026

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering
09:12

Functionalization of Single-walled Carbon Nanotubes with Thermo-reversible Block Copolymers and Characterization by Small-angle Neutron Scattering

Published on: June 1, 2016

Functionalization and Dispersion of Carbon Nanomaterials Using an Environmentally Friendly Ultrasonicated Ozonolysis Process
08:33

Functionalization and Dispersion of Carbon Nanomaterials Using an Environmentally Friendly Ultrasonicated Ozonolysis Process

Published on: May 30, 2017

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
08:40

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

结论:

  • 13C NMR光谱学可以有效地区分SWNT上的不同共价功能化路径.
  • 观察到的NMR转移在很大程度上独立于SWNT半径和替代物类型对于某些功能化.
  • 核磁共振分析提供了对SWNT功能化的详细了解,这对于材料设计和应用至关重要.