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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: 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 and Mass Spectroscopy of Carboxylic Acids01:30

NMR and Mass Spectroscopy of Carboxylic Acids

In ¹H NMR spectroscopy, acidic protons (–COOH) of carboxylic acids are highly deshielded and absorb far downfield, at around 9–12 ppm. The chemical shift value depends on the concentration and solvent used.
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the disappearance of the acidic...
¹H NMR Signal Multiplicity: Splitting Patterns01:13

¹H NMR Signal Multiplicity: Splitting Patterns

When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin state parallel to proton X is slightly different from the energy required for it to become anti-parallel to spin X. Consequently, there are two possible excitation frequencies for A (A1 and A2), depending on the spin state of X, and vice versa. The mutual nature of coupling implies that the difference between frequencies A1 and A2, indicated...
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...
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...

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相关实验视频

Updated: Jun 21, 2026

GC-based Detection of Aldononitrile Acetate Derivatized Glucosamine and Muramic Acid for Microbial Residue Determination in Soil
11:06

GC-based Detection of Aldononitrile Acetate Derivatized Glucosamine and Muramic Acid for Microbial Residue Determination in Soil

Published on: May 19, 2012

通过13C固态NMR光谱学检测二甲基-3,6-二-2,5-二基甲酸的多态.

M Strohmeier1, A M Orendt, D W Alderman

  • 1Department of Chemistry, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112-0850, USA.

Journal of the American Chemical Society
|July 18, 2001
PubMed
概括

固态核磁共振显示了二甲基-3,6-二-2,5-二基甲酸盐的两个多态的明显结构差异. 这些差异,包括扭转角度和键,影响了pi电子系统的结合.

科学领域:

  • 固态核磁共振 (NMR) 光谱学 固态核磁共振 (NMR) 光谱学
  • 晶体学 晶体学是指结晶学.
  • 量子化学 是一个量子化学.

背景情况:

  • 有机分子中的形态多态性影响材料特性.
  • 甲基-3,6-二-2,5-二基甲酸存在于多种晶体形式 (多态).
  • 以前的X射线衍射研究发现了多态生物之间的结构变异.

研究的目的:

  • 为了研究二甲基-3,6-二-2,5-二基甲酸盐的两个多态体 (白色和黄色) 之间的结构和电子差异.
  • 为了将固态NMR数据与已知的结构变异相关联.
  • 为了验证量子化学计算与实验NMR数据对比.

主要方法:

  • 固态碳-13神奇角度旋转 (MAS) NMR光谱. 固态碳-13神奇角度旋转 (MAS).
  • 2D FIREMAT实验用于化学转移电位子的确定.
  • 量子化学计算 (HF和DFT) 用于化学转移和电场梯度 (EFG) 张量.

主要成果:

  • 获得了白色和黄色多态体的独特光谱特征.
  • 在碳同位素化学转移和EFG张量中观察到显著的差异.
  • 量子化学计算准确地重现了实验数据,支持分配的结构.

更多相关视频

Methods to Identify the NMR Resonances of the 13C-Dimethyl N-terminal Amine on Reductively Methylated Proteins
13:59

Methods to Identify the NMR Resonances of the 13C-Dimethyl N-terminal Amine on Reductively Methylated Proteins

Published on: December 12, 2013

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
13:16

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics

Published on: July 31, 2021

相关实验视频

Last Updated: Jun 21, 2026

GC-based Detection of Aldononitrile Acetate Derivatized Glucosamine and Muramic Acid for Microbial Residue Determination in Soil
11:06

GC-based Detection of Aldononitrile Acetate Derivatized Glucosamine and Muramic Acid for Microbial Residue Determination in Soil

Published on: May 19, 2012

Methods to Identify the NMR Resonances of the 13C-Dimethyl N-terminal Amine on Reductively Methylated Proteins
13:59

Methods to Identify the NMR Resonances of the 13C-Dimethyl N-terminal Amine on Reductively Methylated Proteins

Published on: December 12, 2013

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
13:16

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics

Published on: July 31, 2021

结论:

  • 固态NMR在表征多态体之间的微妙结构差异方面是有效的.
  • 观察到的光谱变化直接与扭转角度和键模式的差异有关.
  • 计算化学为结构多态化的电子后果提供了宝贵的见解.