Simulation of CPMAS signals at high spinning speeds.
The spin dynamics of an S(1/2)IN system during the CP mixing time of continuous wave and variable amplitude cross-polarization magic angle spinning (CWCPMAS and VACPMAS) experiments is discussed. The signal enhancement of a low abundant S spin, coupled to a set of N = 6 coupled spins with I = 1/2, is evaluated as a function of the length of the mixing time. For CWCPMAS this signal is first evaluated in the frequency domain and then transformed to the time domain. These calculations provide some additional insight into the CP spin dynamics and enable a practical approach toward the evaluation of CP signals of large spin systems. In addition the adiabatic character of the ramped VACPMAS experiments is discussed and S-spin signals of a spin system with N = 6 are simulated. Estimates of the upper bounds of the CP signals as a function of the number of I spins in an S(1/2)IN system are given and compared with the calculated values.
Ray
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Department of Chemical Physics, Weizmann Institute of Science, Rehovot, 76100, Israel.
Ladizhansky
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Vega
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D009682:Magnetic Resonance Spectroscopy