Accurately and Quickly Interpreting NMR/IR Spectra

In summary, the individual discusses their examination of the IR and HNMR spectra for a sample of n-bromobutane (or 1-bromobutane). They note peaks for CH2-x where x is bromine, methylene, and a methyl group in the IR spectrum and conclude that they have synthesized n-bromobutane. They also compare the HNMR spectra to the IR spectra and confirm that the protons shown in the NMR spectra correspond to the groups determined in the IR spectra. They note that the approximate ppm values seem to be shifted, but this may not necessarily mean their interpretation is wrong. They ask for confirmation on the soundness of their logic and share the attached NMR and IR
  • #1
biochem850
51
0
In examining the IR spectrum, I noted that there were peaks for CH2-x where x is bromine, methylene (2 peaks) and a peak corresponding to a methyl group; I concluded that I've synthesized n-bromobutane. Is the method I used to interpret my spectra sound? *CDCl3 was the IR solvent

In addition, in looking at the HNMR spectra, I concluded that the protons shown in the NMR spectra corresponded to the groups determined in the IR spectra. My only concern is that the approximate ppm(s) seem to be shifted yet I know that this may not necessarily mean that my interpretation is wrong. Can someone confirm that my logic is sound and supported?

I've attached the NMR and the IR. http://i42.photobucket.com/albums/e309/Alex_Jsoh/IRSpectrum-page-001_zps084bb818.jpg

http://i42.photobucket.com/albums/e309/Alex_Jsoh/NMRSpectrum-page-001_zpsdd2a7edc.jpg

Thanks!
 
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  • #2
What is n-bromobutane?
 
  • #3
I'm sorry, 1-bromobutane (or n-butyl bromide).
 
  • #4
Is the rightmost small peak CDCL3? Maybe you should set it to 0?
If so then it works well with the 1-bromobutane.
 
  • #5
Can't really see your IR spectrum very clearly, but it does look similar to the reference IR spectrum for 1-bromobutane.
n-bromobutane.gif
 
  • #6
Yeah, someone else did the IR/NMR for me.

The smallest peak is CDCl3 and it seems that setting it to 0 is prudent.

I did some thorough review of NMR/IR and I'm pretty confident now!

Thanks guys!
 

1. What is NMR/IR spectroscopy and why is it important?

NMR/IR spectroscopy is a powerful analytical technique used to identify and characterize the chemical structure of organic compounds. It works by measuring the absorption of electromagnetic radiation by the molecular bonds of a compound, providing information about the types of atoms and their connectivity. This technique is important in various fields, including chemistry, biochemistry, and pharmaceuticals, as it allows for the determination of molecular structures and functional groups present in a compound.

2. How does NMR/IR spectroscopy work?

NMR/IR spectroscopy works by exposing a compound to a specific frequency of electromagnetic radiation, usually in the radio or infrared range. As the compound absorbs the radiation, the nuclei of atoms within the molecule resonate and produce a signal that is recorded as a spectrum. The peaks in the spectrum correspond to different types of atoms and their environments, providing information about the molecular structure and functional groups present.

3. What are the common challenges in interpreting NMR/IR spectra?

Interpreting NMR/IR spectra can be challenging due to the complexity of the spectra and the potential for overlapping signals. Additionally, factors such as instrument calibration, sample preparation, and impurities can affect the accuracy of the spectrum. Therefore, it is important to have a thorough understanding of the principles of NMR/IR spectroscopy and to carefully analyze the spectra to accurately interpret the data.

4. How can I improve my skills in interpreting NMR/IR spectra?

The best way to improve your skills in interpreting NMR/IR spectra is through practice and familiarizing yourself with the principles and techniques of NMR/IR spectroscopy. You can also attend workshops or online courses to learn about the common challenges and strategies for interpreting spectra. Additionally, collaborating with experienced scientists or seeking guidance from experts can also help improve your skills.

5. How can I ensure the accuracy and reliability of my NMR/IR spectra interpretation?

To ensure the accuracy and reliability of your NMR/IR spectra interpretation, it is important to carefully prepare your sample and calibrate your instrument. It is also essential to compare your spectrum with known standards and to utilize various analytical tools, such as spectral databases and computer software, to assist with the interpretation. Additionally, it is important to critically analyze and validate your results and seek the opinion of other experts if necessary.

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