Raman spectroscopy-vibrational modes

yokone_

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

yokone_

Any info?

DrDu

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.

yokone_

OK Thank you