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Sample of the Vibration Frequencies for Ethyl Benzene

The frequency of vibrations for ethyl benzene were calculated from the ab initio DZV basis set. These frequencies correspond to the frequencies at which IR peaks should be observed. A total of 48 vibrational frequencies were calculated for ethyl benzene. A sample selection of the characteristic bending and stretching vibrations can be viewed on this page by selecting the appropriate button. Table 1 lists the select calculated frequencies and Figure 1 is a reference IR spectrum of ethyl benzene prepared neat as a liquid film.

You may look at any of these intermediate views again by clicking on the appropriate button or click the "Ethyl Benzene" button below to return the molecule to a stationary view.

**Table 1:** Select calculated vibrational frequencies of ethyl benzene. Calculations were performed using the DZV basis set and represent only a few of the frequencies predicted.
Calculated Frequency (cm^-1)	Description of Vibration
	Ring out of plane (OOP) bending
	Ring breathing
	Asymmetric aromatic C=C stretch
	Symmetric aromatic C=C stretch
	sp³ C-H alternating symmetric stretch
	sp³ C-H symmetric stretch
	Aromatic sp² C-H asymmetric stretch
	Aromatic sp² C-H symmetric stretch

Figure 1: IR spectrum of neat ethyl benzene. Spectrum obtained from the SDBS website.

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