Nehrkorn Joscha, Holldack Karsten, Bittl Robert, Schnegg Alexander
Berlin Joint EPR Lab, Institute for Nanospectroscopy, Helmholtz-Zentrum Berlin für Materialien und Energie, Kekuléstraβe 5, 12489 Berlin, Germany; Department of Chemistry, Box 351700, University of Washington, Seattle, WA 98195, United States.
Institute Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie, Albert-Einstein-Straße 15, 12489 Berlin, Germany.
J Magn Reson. 2017 Jul;280:10-19. doi: 10.1016/j.jmr.2017.04.001.
We describe frequency-domain Fourier-transform THz-EPR as a method to assign spin-coupling parameters of high-spin (S>1/2) systems with very large zero-field splittings. The instrumental foundations of synchrotron-based FD-FT THz-EPR are presented, alongside with a discussion of frequency-domain EPR simulation routines. The capabilities of this approach is demonstrated for selected mono- and multinuclear HS systems. Finally, we discuss remaining challenges and give an outlook on the future prospects of the technique.
我们将频域傅里叶变换太赫兹电子顺磁共振描述为一种用于确定具有非常大零场分裂的高自旋(S>1/2)系统自旋耦合参数的方法。介绍了基于同步加速器的频域傅里叶变换太赫兹电子顺磁共振的仪器基础,并讨论了频域电子顺磁共振模拟程序。该方法的能力在选定的单核和多核高自旋系统中得到了证明。最后,我们讨论了仍然存在的挑战,并对该技术的未来前景进行了展望。