Difference between revisions of "Comp Chem 03"
Jump to navigation
Jump to search
(Created page with "(4/23/20, bes) Previous pages: :[http://esr.monmsci.net/wiki/index.php/Comp_Chem_01 Computational Chemistry 1] :[http://esr.monmsci.net/wiki/index.php/Comp_Chem_02 Computatio...") |
|||
| Line 4: | Line 4: | ||
:[http://esr.monmsci.net/wiki/index.php/Comp_Chem_01 Computational Chemistry 1] | :[http://esr.monmsci.net/wiki/index.php/Comp_Chem_01 Computational Chemistry 1] | ||
:[http://esr.monmsci.net/wiki/index.php/Comp_Chem_02 Computational Chemistry 2] | :[http://esr.monmsci.net/wiki/index.php/Comp_Chem_02 Computational Chemistry 2] | ||
| + | |||
| + | Okay, so let's use WebMO/Gaussian to do some organic chemistry. The [https://www.masterorganicchemistry.com/2017/09/26/activating-and-deactivating-groups-in-electrophilic-aromatic-substitution/ 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. | ||
| + | |||
| + | [[File:Screen Shot 2020-04-23 at 8.20.30 AM.png|400px]] | ||
| + | |||
| + | The following WebMO/Gaussian activity will highlight the aspects of "activating" and "deactivating." | ||
| + | |||
| + | [[WebMO_Electrostatic_Potential_maps|Exercise 5: Electrostatic Potential Maps]] | ||
Revision as of 13:58, 23 April 2020
(4/23/20, bes)
Previous pages:
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."