Exchange: Chemical Exchange Lineshapes

This application calculates the NMR line shapes for chemical exchange for two equivalent sites, Java version*. 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
Fraction A sites:
   

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.
Frequency(Hz)Intensity

Output:

Background Literature References

* If you don't want to use this Java dependent version you can also use Exchange(Netscape) for Netscape users or Exchange(IE) for Internet Explorer.

The Java plotting routines are courtesy of Leigh Brookshaw.

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, 6/9/2003