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Raman spectroscopy-vibrational modes

by yokone_
Tags: modes, raman
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yokone_
#1
Mar13-12, 03:00 PM
P: 4
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
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yokone_
#2
Mar14-12, 10:50 AM
P: 4
Any info?
DrDu
#3
Mar14-12, 10:58 AM
Sci Advisor
P: 3,555
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_
#4
Mar15-12, 12:10 PM
P: 4
Raman spectroscopy-vibrational modes

OK Thank you


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