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Two-Dimensional (2D) NMR: Overview

Two-Dimensional (2D) NMR: Overview

The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...

2D NMR: Overview of Homonuclear Correlation Techniques

2D NMR: Overview of Homonuclear Correlation Techniques

Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...

2D NMR: Overview of Heteronuclear Correlation Techniques

2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...

2D NMR: Homonuclear Correlation Spectroscopy (COSY)

2D NMR: Homonuclear Correlation Spectroscopy (COSY)

Homonuclear correlation spectroscopy, or COSY, is a 2-dimensional NMR technique that provides information about coupled protons. Typically, the geminal and vicinal coupling are observed. For example, consider the COSY spectrum of ethyl acetate, where its 1D proton NMR spectrum is plotted along the vertical and horizontal axes with their corresponding chemical shift scale. Three spots on the diagonal corresponding to the three peaks in the 1D proton spectrum are called diagonal peaks. The COSY...

¹H NMR: Interpreting Distorted and Overlapping Signals

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...

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Updated: May 1, 2026

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy

Published on: January 30, 2019

Quantitative 2D liquid-state NMR.

Patrick Giraudeau¹

¹EBSI Team, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), Université de Nantes, CNRS, UMR 6230, LUNAM Université, 2 rue de la Houssinière, B.P. 92208, 44322, Nantes Cedex 03, France.

Magnetic Resonance in Chemistry : MRC

|April 5, 2014

Summary

This summary is machine-generated.

Two-dimensional (2D) liquid-state Nuclear Magnetic Resonance (NMR) offers high potential for quantifying small molecules in mixtures. Recent advancements focus on improving speed and accuracy for high-throughput quantitative analysis.

Keywords:

13C 1H 2D spectroscopy NMR calibration concentration quantitative analysis small molecules standard additions ultrafast 2D NMR

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Area of Science:

Analytical Chemistry
Spectroscopy
Nuclear Magnetic Resonance (NMR)

Background:

Two-dimensional (2D) liquid-state NMR excels at separating overlapping resonances, enabling simultaneous absolute concentration determination of small molecules in complex mixtures.
However, its development has been hindered by molecule/site-dependent signal variations and long experiment durations, limiting high-throughput quantitative applications.

Purpose of the Study:

To review recent advancements in quantitative 2D NMR approaches.
To highlight strategies for achieving high trueness and precision in quantitative measurements using 2D NMR.
To present the development of fast quantitative 2D NMR methods.

Main Methods:

Review of recent literature on quantitative 2D NMR.
Description of strategies for absolute concentration determination from 2D NMR spectra.
Discussion of recent applications and fast quantitative 2D NMR techniques.

Main Results:

Significant progress has been made in developing quantitative approaches based on 2D NMR over the last decade.
Various strategies have been successfully applied to solve real analytical problems, achieving high accuracy.
New fast quantitative 2D NMR methods are emerging, reducing experiment times while maintaining or improving performance.

Conclusions:

2D NMR is a powerful tool for quantitative analysis of complex mixtures.
Recent developments address limitations, enhancing its utility for high-throughput applications.
The field shows promising perspectives for future quantitative analytical challenges.