still of jmol image
Widgets will appear here
Ethylbenzene

Below is a table of selected bond lengths and angles.
3-21G6-31GDZVLiterature
C-C(ring)1.39221.39541.40331.399**
Tertiary carbon, angle exterior to ring118.55118.81118.87
Tertiary carbon, angle interior to ring122.90122.38122.26
Again we see the smaller 6-31G basis set producing values closer to those measured.  


Press the button below to show ethylbenzene's generated highest molecular orbitals.
Displayed is the pi bonds about the conjugated ring.

The button below will display the vibrational motion associated with 820.05 cm^-1, and can be attributed to rotation of the conjugated ring carbons. 

The motion associated with 901.9cm^-1 can be displayed by pressing the button below.  The motion is the rotation of hydrogen atoms about the conjugated ring.

Press the button below to show the motion associated with 3416.72 cm^-1 and can the vibrations can be attributed to C-H stretching.
Insert more information for Ethylbenzene 3288.34cm^-1 vibration here.
The button Ethylbenzene 3416.72cm^-1 vibration will appear in the box below. Insert information for Ethylbenzene 3416.72cm^-1 vibration here and below.
Insert more information for Ethylbenzene 3416.72cm^-1 vibration here.

Based on template by A. HerrŠez as modified by J. Gutow
Page skeleton and JavaScript generated by export to web function using Jmol 11.9.35 2010-03-18 06:10 on Mar 29, 2010.