What region in NMR spectrum should I choose for integration?

In summary, integration in NMR spectroscopy is the process of measuring the relative areas under the peaks in an NMR spectrum to determine the ratio of different types of hydrogens in a molecule. Choosing the correct region for integration is important for accurate quantification and can be determined by looking at chemical shift values. Multiple regions can be integrated for more accurate results, but there are limitations such as assuming equal sensitivity of all hydrogens and not providing information about spatial arrangement or distinguishing between similar chemical shifts.
  • #1
Leonid92
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What region in NMR spectrum should I choose for integration?
Hi all,
I have nuclear magnetic resonance spectrum. The vertical axis is intensity, and the horizontal axis is index. I need to find integral under the peak. But I am not sure, what region should I choose for integration - region 1 or region 2? Please find attached the spectrum.
 

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  • #2
That depends on what exact question you're trying to answer by integrating the spectrum.
 

1. What is integration in NMR spectroscopy?

Integration in NMR spectroscopy is a process where the area under a specific peak in the NMR spectrum is measured and compared to the area under other peaks. This allows for the determination of the relative number of protons or nuclei responsible for each peak.

2. Why is it important to choose the correct region for integration in NMR spectroscopy?

Choosing the correct region for integration is important because it ensures accurate quantification of the sample. If the wrong region is chosen, the integration values will not reflect the true number of protons or nuclei present, leading to incorrect interpretations of the data.

3. How do I determine which region to choose for integration in NMR spectroscopy?

The region for integration is typically chosen based on the type of compound being analyzed. For example, in a proton NMR spectrum of an organic compound, the region between 0-10 ppm is usually chosen as it contains the signals for most organic functional groups. Consultation of NMR databases or previous literature can also help in determining the appropriate integration region.

4. Can I integrate multiple regions in an NMR spectrum?

Yes, it is possible to integrate multiple regions in an NMR spectrum. This is useful when there are multiple peaks that need to be quantified separately. However, it is important to ensure that the integration regions do not overlap to avoid inaccurate quantification.

5. What are some common errors to avoid when choosing the integration region in NMR spectroscopy?

Some common errors to avoid when choosing the integration region include choosing a region that contains overlapping peaks, choosing a region that is too broad or too narrow, and choosing a region that does not represent the compound being analyzed. It is important to carefully examine the spectrum and select an appropriate integration region to obtain accurate results.

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