Raman spectroscopy-vibrational modes

  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. Any info?
  4. DrDu

    DrDu 4,643
    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. OK Thank you
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