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 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. firstname.lastname@example.org