Comp Chem 03

(4/23/20, bes)

Previous pages:

Computational Chemistry 1

Computational Chemistry 2

Okay, so let's use WebMO/Gaussian to do some organic chemistry. The figure below discusses the "activating and "deactivating" nature of electrophilic aromatic substitution. As noted:

• Activating groups donate electrons to the ring,
• Deactivating groups withdraw electrons from the ring.

The following WebMO/Gaussian activity will highlight the aspects of "activating" and "deactivating."

Exercise 5: Electrostatic Potential Maps