Simulated 2-dimensional broad-line proton NMR spectra

• changes in spectra are due to the diffusion of the probe molecules
• Diffusion constant D = 5e-12 m^2/s
• Radius of assumed sphere R = 0.5 µm
• Gaussian line shape for oriented spectrum (width 20kHz)
• Spin-temperature approximation for spectral simulation

The simulation has been performed in the time domain (Using Igor Pro).

The data have been subsequently analyzed with the NMR_Analysis 2.1 PackageNMR_Analysis 2.1 Package.

• no base-line correction or phase correction in time domain (not necessary)
• application of 5kHz broadening function
• 2D Fourier transformation
• base-line correction (for each f1 and each f2 spectrum separate)
• contour plot

Submitted by Frank Linseisen. flinseis@physics.ubc.ca