Is there any program for FTIR that gives you the peak number then will give you the odds of the funactional group
From the literature you will get information regarding the range of wave numbers vs. functional groups. And after knowing this you can interpret your spectra based on your process (experimental process / material)
no, there is no such program. its all depends on your material and precursor you used. try to see literature related to your material, you will get assignment of every peak. good luck
From the literature you will get information regarding the range of wave numbers vs. functional groups. And after knowing this you can interpret your spectra based on your process (experimental process / material)
Some manufacturers offer software which assigns signals to functional groups (OPUS can do that). However, most likely you will get more than one assignment for a band. So you still have to compare it to assignments from the literature, but it might help to get you started.
It is also good to use some free databases like sdbs. You can try to find similar compound and compare your spectra to the standard compound. However some characteristic bands may be easily recognize without any databases. You can also use omnic software which has quite big database and may ascribe particular groups to your bands but (unfortunatelly) you have to buy it.
Regards
Karol
In fact, the wavenumbers are given by the package used for recording IR spectrum. As far as the assignment of the observed peaks are concerned , there are tables established on the basis of numerous data, giving the spectral regions where the usual functional groups characteristic bands are found (methyl, CH2, NH2, NH3+, amide, ...). Bruker has published a catalogue of these (and other) functional groups' characteristic wavenumbers. Otherwise, when there is superposition of the bandes from different groups involved in the structure of the analyzed molecule, and we cannot solve the problem with isotopic substitution and what else, the only way is to resort to theoretical calculations. DFT approach is nowadays very popular and gives quite good results.
Dear Abdulkreem Ghassan Alsultan, the software I use (Omnic - Thermo Scientific, Madison WI, USA) has a feature called IR spectral interpretation which gives you a kind of interpretation, but not the odds. If you select a single peak/band and you search in your database, you will obtain the match% related to a database spectrum for this single band. I agree with Mahmoud Ghomi, it is better if you use the published tables.
Best regards.
thank you Alvise Vianello
is (Omnic - Thermo Scientific, Madison WI, USA ) free
how can I have copy
No, it is not free…It is the Thermo scientific software for Thermo FT-IR spectrometers.
Salam alikum Abdulkareem,
It depends. If you are getting the spectrum where you observe the peaks directly from FTIR spectrometer, then you can choose the option of -Peak Picking- under -Evaluation-. However, if you have a ready spectrum, then, upon my knowledge, you need to analyze it by the traditional way (you locate the points by analyzing the spectrum manually, no software help)
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