[CHM 331] More on Morse Plots

[Andrew J. Pounds]

Okay -- because I want you all to have the satisfaction of getting these 
done, there are a few more things that you can do that will make your 
plots look good.

1. I calculated my $D_e$ in cm-1 so that it would be in a similar unit 
system as everything else.   I could have also used ergs, but the cm-1 
will be a much smaller number and easier for excel to calculate.  Based 
on what I have seen, getting to $D_e$ in joules or ergs is not a 
problem.  To get it to cm-1 or m-1
just divide by $hc$ in the appropriate units.

2. The argument of the exponential function in the Morse potential needs 
to be dimensionless, so the $\alpha$ term needs to be in dimensions of 
cm-1 or m-1.  I you divide your calculated $\alpha$ by $hc$ (in the 
appropriate units) it will get you there.

3. If I multiply by $D_e$ in wavenumbers then the plot E(R) will be in 
terms of wavenumbers.  To get this back into eV multiply by $hc$ and 
divide by the energy required to move a coulomb of charge through a 
potential of 1 volt (1.6e-19 J/C or 1.6e-12 erg/c).

I was able to get nice looking plots using these methods.

I will be in Willet after 1 pm tomorrow.   Gen Chem lab starts at 3:00 
pm.    Once I get my gen chem students checked out of lab I will head 
back down to my office.

-- 
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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