hello everyone
I'm working on unknown organic synthesis compound. After analysis of these compound i found IR spectrum so is there any particular method to interpretation of IR data for composition of the structure of that unknown compound. if any one have idea regarding this so please reply me.
Dear Smit Sathvara
Personally, I recommend the reading of the book titled Spectrometric identification of organic compounds, Chapter 2, edited by Silverstein.
All the best
Dear Smit Sathvara,
For my IR spectrum I usually use this good site : https://chem.libretexts.org/Bookshelves/Ancillary_Materials/Reference/Reference_Tables/Spectroscopic_Parameters/Infrared_Spectroscopy_Absorption_Table
Sometimes when I need to deepen interpretation, I carry out quantum chemistry calculation on my molecule to associate each experimental band to each vibration. There are many well-described methods online you can easily find. But in your case, it is not possible as your molecule is unknown. I could only suggest you to carry out an army of NMR spectra (1D and 2D) followed by mass spectrometry and elemental analysis. Some old (but gold) methods in organic chemistry could help you also to determine the structure (reactions with some compounds to know all the functionnal groups for example). Good luck.
Try to get a copy of the book on Spectroscopy by Williams and Flemming.
Dear Smit Sathvara personally I would suggest to go to your library and borrow at textbook on IR spectroscopy. However, there are numerous links that might be helpful, e.g.
https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Spectroscopy/Vibrational_Spectroscopy/Infrared_Spectroscopy/Infrared%3A_Interpretation
https://www.masterorganicchemistry.com/2016/11/23/quick_analysis_of_ir_spectra/
and papers (see attached).
Method to interpretation of IR data. Divide IR spectrum into two parts i.e.above 1600 cm-1 called group frequency region and below 1600 cm-1 is the finger print region. NH & OH str. bands are observed between 3100-3500 cm-1(Wave number), C-H str. around 3000 cm-1 , C=O str. ranges from 1680-1750 cm-1 depending upon the nature whether amido C=O, aldehydes, ketones, acids , esters etc.(Ref. Chart availble in standard book), CN band observed around 2220cm-i whereas Carbon - carbon triple bond observed between 2150-2200cm-1.C=C double band observed around 1600cm-1.Below 1600 cm-1 is the finger print region. You can match IR band to band in this region to identify the known and unknown compounds.
it's very very helpful & useful answers
Thank you Everyone,
Corentin Lefebvre
Satyajit Sarker
Frank T. Edelmann
Madhukar Baburao Deshmukh
T. H. Al-Noor
Dear Smit Sathvara
Personally, I recommend the reading of the book titled Spectrometric identification of organic compounds, Chapter 2, edited by Silverstein.
All the best
Dear Smit Sathvara I think that Yasser Fakri Mustafa is absolutely right in that for getting a good knowledge about the interpretation of IR spectra it is advisable to read a textbook on IR spectroscopy.
Dear Frank T. Edelmann
Thank you very much for your support and recommendation.
Regards
Infrared Spectroscopy is the analysis of infrared light interacting with a molecule. IR Spectroscopy measures the vibrations of atoms, and based on this it is possible to determine the functional groups. Generally, stronger bonds and light atoms will vibrate at a high stretching frequency.
Sarcasm Mode On:
Take several books and tables which defines in which area IR bands should be observed for some functional groups. Now .... Each band (especially the small ones and the final rise) is assigned to something, which is present in one of the tables.
Thats all! ;)
Sarcasm Mode Off.
Read a Text Book.
Dear Smit Sathvara I think that Guido J. Reiss is absolutely right in that for understanding the interpretation of IR spectra it is necessary to study a text book on this topic. It is not a matter of a quick advice on RG. Ideally you would attend a course on "Characterization methods of organic compounds" or something like that.
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