Overtone DANTE experiment with frequency-domain acquisition.
The function runs a DANTE pulse train followed by frequency-domain acquisition at the overtone frequency. Because time-domain overtone spectroscopy is difficult (see http://dx.doi.org/10.1039/C4CP03994G for details), this mode of acquisition is preferable in practice. Simulations assumptions should be set to 'qnmr'.
parameters.sweep - vector with two elements giving the spectrum frequency extents in Hz around the overtone frequency parameters.npoints - number of points in the spectrum parameters.rho0 - initial state parameters.coil - detection state parameters.Lx - X Zeeman operator on the quadrupolar nucleus parameters.pulse_dur - duration of each pulse, seconds parameters.pulse_amp - amplitude of each pulse, Hz parameters.pulse_num - number of pulses within rotor period parameters.n_periods - number of rotor periods that the sequence is active for H - Hamiltonian commutation superoperator R - unthermalised relaxation superoperator K - chemical kinetics superoperator
The function returns the populations of the detection state at the frequencies specified.
The following 15N overtone spectrum is produced by examples/nmr_overtone/dante_glycine.m example file:
- Relaxation must be present in the system dynamics, or the matrix inverse-times-vector operation performed by the frequency domain detection module would fail to converge. The relaxation superoperator should not be thermalised.
- Relaxation theory is not applied during the DANTE sequence.