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Related Concept Videos

2D NMR: Homonuclear Correlation Spectroscopy (COSY)01:06

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...
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations01:08

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single stretching vibration...
2D NMR: Overview of Homonuclear Correlation Techniques01:16

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...
Two-Dimensional (2D) NMR: Overview01:12

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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.
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Orthogonal Trajectories01:26

Orthogonal Trajectories

Orthogonal trajectories describe the geometric relationship between two families of curves that intersect each other at right angles. One illustrative case involves a family of parabolas that open sideways along the x-axis. These curves share a common shape but differ by a scaling parameter, resulting in a set of curves that all pass through the origin and widen at different rates.Determining Orthogonal TrajectoriesTo identify the orthogonal trajectories for these parabolas, the first step...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

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 axis.

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Related Experiment Video

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Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Observations on "orthogonality" in comprehensive two-dimensional separations.

Nathanial E Watson, Joe M Davis, Robert E Synovec

    Analytical Chemistry
    |September 21, 2007
    PubMed
    Summary
    This summary is machine-generated.

    Orthogonality in comprehensive two-dimensional separations is crucial for optimization. This study corrects a mathematical function for orthogonality, showing percentage coverage is a better metric than peak capacity at low values.

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    Area of Science:

    • Analytical Chemistry
    • Chromatography

    Background:

    • Orthogonality is key for optimizing comprehensive two-dimensional (2D) separations.
    • Existing metrics for orthogonality have quantitative shortcomings.
    • A recently proposed mathematical function for orthogonality (O) requires refinement.

    Discussion:

    • This work explores and partially corrects the mathematical function for orthogonality (O).
    • The study relates O to fractional coverage (f) and peak capacity (P) in one dimension.
    • Deviations in O at low peak capacity (P) are highlighted, impacting metric application.

    Key Insights:

    • Orthogonality (O) values stabilize at high peak capacity (P) but decrease significantly at low P.
    • The percentage coverage (100% * f) may be a more reliable metric than O for assessing compound dissemination in 2D space.
    • Findings are critical for optimizing 2D separations, especially when the second dimension operates at low P.

    Outlook:

    • Further validation of the corrected orthogonality metric is needed.
    • Exploring alternative metrics for 2D separation optimization is encouraged.
    • Investigating the practical implications of low P in 2D separations will be beneficial.