Ethylbenzene
Below is a table of selected bond lengths and angles.
| 3-21G | 6-31G | DZV | Literature |
| C-C(ring) | 1.3922 | 1.3954 | 1.4033 | 1.399** |
| Tertiary carbon, angle exterior to ring | 118.55 | 118.81 | 118.87 | |
| Tertiary carbon, angle interior to ring | 122.90 | 122.38 | 122.26 | |
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. Herráez as modified by J. Gutow
Using directory C:/Users/Compaq/Desktop/Wes and Natasha
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