Difference between revisions of "Comp Chem 03"

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:[http://esr.monmsci.net/wiki/index.php/Comp_Chem_01 Computational Chemistry 1]
 
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:[http://esr.monmsci.net/wiki/index.php/Comp_Chem_02 Computational Chemistry 2]
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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:
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::*'''''Activating''''' groups donate electrons to the ring,
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::*'''''Deactivating''''' groups withdraw electrons from the ring.
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[[File:Screen Shot 2020-04-23 at 8.20.30 AM.png|700px]]
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The following WebMO/Gaussian activity will highlight the aspects of "activating" and "deactivating."
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[[WebMO_Electrostatic_Potential_maps|Exercise 5: Electrostatic Potential Maps]]

Latest revision as of 14:00, 23 April 2020

(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.

Screen Shot 2020-04-23 at 8.20.30 AM.png

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

Exercise 5: Electrostatic Potential Maps