[CHM 331] HW Set 5

[Andrew J. Pounds]

On 10/26/13 22:23, Connor Gregory Holt wrote:
> Dr. Pounds,
>
> For the problems involving Gaussian, how are we supposed to deliver 
> our results to you? Save and email them, copy the MO diagrams we make 
> on paper, etc? We are really confused.
>
> Thanks :)
>
> connor
For 2(a) I would like you to draw the valence MO correlation diagram for 
each molecule on a sheet of paper and on that same sheet of paper answer 
the questions posed.  Basically I am asking you to "translate" what 
Gaussian does to a format that we all generally recognize.

For 2(b) I would like you to do the same, but for the last part record 
you calculated bond lengths for each molecule.

For 2(d) use the methods we discussed in class to prepare the PES for 
dichloroethane.   I would like this graph submitted in Excel.

For 2(e) for each molecule draw the Lewis dot diagram as well as it's 
VSEPR shape.  Then write down for each molecule the LITERATURE value of 
the dipole moment as well as the Gaussian calculated dipole moment. To 
answer the last part of the question it might be beneficial to order the 
molecules based on their dipole moments.  That might help you see any 
possible trends.

-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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