[CHM 331] Homework #2

[Andrew J. Pounds]

On 09/15/2012 08:10 PM, Santiago.E.Mayor wrote:
> Dr. Pounds,
>
> For problem #2 D, I could not figure out what energy levels (n) to use in order to solve the problem using the equation E=(h^2n^2/(8ma^2)). For problem #2 E do we have to use Gaussian to solve for the length of the molecule or is it the same as the width (10 A)?
>
> Santiago Mayor

In this problem you are solving for the energy levels.  The only thing 
you need is the length of the molecule and I gave you all the bond 
length information.  So, use a little bit of that organic chemistry, 
draw out the molecule structure in a linear fashion, add up the bond 
lengths, and come up with a total length for your molecule (which will 
be the length of the box).

You should have absolutely no need to use Gaussian until we get to 
chapter 11.  In problem 2E the molecule is planar and symmtric -- so yes 
the the box length equals the box width.


-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627