Ir Assignment Table

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With the help of quantum mechanical calculations (Schroedinger equation) you can find the frequencies of basic stretching and bending modes: Based on the equation, one would always expect a sharp lines at a well defined wavenumber.

Unfortunately, the change in vibration modes is always accompanied with change in rotational mode (Stokes and Anti-Stokes).

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The following sequence is observed: Ring strain usually increases the C=O stretching frequency.

Conjugation of teh carbonyl group with other double bonds (aromatics, alkenes) or the formation of hydrogen bonds decreases the bond strength (shift: 15-60 cm).

An interpretation of an IR spectrum should include a detailed assignment of the peaks: exact wavenumber from the spectrum (integer), the intensity (w/m/s/br) and which functional group it represents, and maybe in addition the corresponding literature value.

However, it is not necessary to interpret every little peak in the IR spectrum.

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