Exchange: Chemical Exchange Lineshapes

This application calculates the NMR line shapes for chemical exchange for two equivalent sites. You can also input your experimental data, so that you can graphically compare with the simulated lineshape, but 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

Experimental data:
Make sure your frequencies are relative to the center of the spectrum. That is, the center of the spectrum should be at 0 Hz.


Background Literature References

Colby College Chemistry