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Raman spectroscopy-vibrational modes

  1. Mar 13, 2012 #1
    Hi everybody,

    I am trying to learn how I can interpret the Raman spectra. How can we know which peak

    corresponds to which vibrational mode? We can find it by doing a simple literature scan that's

    ok but without literature scan, how can we know it? Is there any software? I did a basic

    search and found that there are some softwares for density functional theory. What do these

    softwares stand for? I have some Raman peaks with wave numbers and intensities. So just

    entering these data into these software, can I get any valuable result for vibrational modes?

    Thanks in Advance
  2. jcsd
  3. Mar 14, 2012 #2
    Any info?
  4. Mar 14, 2012 #3


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    Science Advisor

    Well, with DFT you can can get the frequencies of vibrational modes for a specific molecule but you can't determine a priori what molecule did produce an observed Raman spectrum.
  5. Mar 15, 2012 #4
    OK Thank you
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