Abstract

Benzene and derivatives of benzene, which have a center of symmetry, have infrared (IR) vibrations that are IR active (allowed in the IR) and vibrations that are Raman active (allowed in the Raman). Therefore, it is most helpful in the spectra-structure identification of benzene and its derivatives to obtain both IR and Raman data. A standard IR or Raman spectrum, if available for comparison, is sufficient to identify a chemical compound when the spectrum of the sample and standard reference are identical. Benzene has 30 fundamental vibrations, and benzene substituted with atoms such as halogen also has 30 fundamental vibrations. Twenty-one fundamentals are in-plane vibrations, and nine fundamentals are out-of-plane vibrations. Moreover, there are 30 fundamental benzene ring vibrations for all of its derivatives. Thus, for a compound, such as toluene that has 39 fundamental vibrations, 30 fundamentals result from C6H5C vibrations, and 9 fundamentals result from CH3 vibrations.

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