Exchange: Chemical Exchange Lineshapes
Calculate the NMR line shape for chemical exchange with two sites. You can also input experimental data to graphically
compare with the simulated lineshape. However, the experimental data is not needed. An example may help.

Simulation constants:
Line separation with no exchange: Hz
T2, relaxation time with no exchange: sec.
Enter one, but not both of the following parameters for the exchange:
Tau, exchange lifetime: sec.    or   k, exchange rate: sec-1
Fraction A sites:

Experimental data: (for comparison with theoretical curve, not required)
Make sure your frequencies are relative to the center of the spectrum. That is, the center of the spectrum should be at 0 Hz.

Frequency(Hz)Intensity
                                                                       

   
Text Output: (cut and paste into Excel for plotting)

Background Literature References

This material is based upon work supported by the National Science Foundation under Grant No. 0079569. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.

T. W. Shattuck, Colby College Chemistry, 9/17/2016