
#1
Mar1312, 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 



#2
Mar1412, 10:50 AM

P: 4

Any info?




#3
Mar1412, 10:58 AM

Sci Advisor
P: 3,369

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.




#4
Mar1512, 12:10 PM

P: 4

Raman spectroscopyvibrational modes
OK Thank you



Register to reply 
Related Discussions  
rotational and vibrational spectroscopy  Quantum Physics  1  
Raman Spectroscopy  General Physics  2  
Raman Spectroscopy  Quantum Physics  2  
Vibrational Modes of a Solid Sphere  General Engineering  1  
Raman and IR spectroscopy  Advanced Physics Homework  1 