Simulation of CPMAS Signals at High Spinning Speeds

Abstract

The spin dynamics of anS(12)INsystem 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 abundantSspin, coupled to a set ofN= 6 coupled spins withI=12, 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 andS-spin signals of a spin system withN= 6 are simulated. Estimates of the upper bounds of the CP signals as a function of the number ofIspins in anS(12)INsystem are given and compared with the calculated values.