首页|Calculation of DEER spectrum by the use of doubly rotating frames: Three-pulse and four-pulse nitroxide biradical DEER signals
Calculation of DEER spectrum by the use of doubly rotating frames: Three-pulse and four-pulse nitroxide biradical DEER signals
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NSTL
Elsevier
A novel doubly rotating frame (DRF) technique has been exploited to calculate three- and four-pulse DEER signals for a system of two dipolar-coupled nitroxides. The three-pulse DRF technique is illustrated for the case, wherein the relative intensity of the peak, appearing at +/- d/2, is compared with that of the peak at +/- d, where d = 23 D (D = dipolar-coupling constant, as a function of B1, the amplitude of the pulses. It is found for three-pulse DEER signals that for the commonly used B1 fields the three-pulse DEER sequence is capable of measuring distances between the two nitroxides of the biradical corresponding to d <= 8 MHz, or distances r >= 18.7 angstrom. As for the four-pulse DEER signal, using the distribution of the distance between the nitroxide radicals, determined experimentally, the simulated DEER signal shows excellent agreement with the experiment.
NSTL
Elsevier
